From f10d9f51df5fd0a0310344cac6203aa355f82243 Mon Sep 17 00:00:00 2001 From: Shyue Ping Ong Date: Fri, 28 May 2021 08:26:44 -0700 Subject: [PATCH] Update dev docs --- docs/_modules/index.html | 10 +- .../pymatgen/db/alchemy/transmuters.html | 10 +- docs/_modules/pymatgen/db/builders/core.html | 10 +- .../db/builders/examples/copy_builder.html | 10 +- .../db/builders/examples/file_builders.html | 10 +- .../builders/examples/maxvalue_builder.html | 10 +- docs/_modules/pymatgen/db/builders/incr.html | 10 +- .../_modules/pymatgen/db/builders/schema.html | 10 +- docs/_modules/pymatgen/db/builders/util.html | 10 +- docs/_modules/pymatgen/db/creator.html | 10 +- docs/_modules/pymatgen/db/dbconfig.html | 10 +- docs/_modules/pymatgen/db/dbgroup.html | 10 +- docs/_modules/pymatgen/db/query_engine.html | 10 +- docs/_modules/pymatgen/db/util.html | 10 +- docs/_modules/pymatgen/db/vv/diff.html | 10 +- docs/_modules/pymatgen/db/vv/report.html | 10 +- docs/_modules/pymatgen/db/vv/util.html | 10 +- docs/_modules/pymatgen/db/vv/validate.html | 10 +- docs/_static/basic.css | 83 +- docs/_static/documentation_options.js | 2 +- docs/_static/searchtools.js | 2 +- docs/_static/underscore-1.13.1.js | 2042 +++++++++++++++++ docs/_static/underscore.js | 8 +- docs/_themes/README.html | 17 +- docs/builders.html | 69 +- docs/change_log.html | 77 +- docs/dbconfig.html | 17 +- docs/doctrees/_themes/README.doctree | Bin 5679 -> 5788 bytes docs/doctrees/builders.doctree | Bin 101873 -> 103227 bytes docs/doctrees/change_log.doctree | Bin 18496 -> 19015 bytes docs/doctrees/dbconfig.doctree | Bin 8008 -> 8204 bytes docs/doctrees/environment.pickle | Bin 349677 -> 350203 bytes docs/doctrees/index.doctree | Bin 39653 -> 40049 bytes docs/doctrees/mgvv.doctree | Bin 99315 -> 102316 bytes docs/doctrees/modules.doctree | Bin 2592 -> 2638 bytes docs/doctrees/pymatgen.db.alchemy.doctree | Bin 13183 -> 13823 bytes docs/doctrees/pymatgen.db.builders.doctree | Bin 264719 -> 280839 bytes .../pymatgen.db.builders.examples.doctree | Bin 53905 -> 56966 bytes docs/doctrees/pymatgen.db.doctree | Bin 266396 -> 280772 bytes docs/doctrees/pymatgen.db.vv.doctree | Bin 321231 -> 339757 bytes docs/doctrees/pymatgen.doctree | Bin 2867 -> 2913 bytes docs/genindex.html | 84 +- docs/index.html | 77 +- docs/mgvv.html | 161 +- docs/modules.html | 17 +- docs/objects.inv | Bin 3701 -> 3737 bytes docs/py-modindex.html | 10 +- docs/pymatgen.db.alchemy.html | 37 +- docs/pymatgen.db.builders.examples.html | 85 +- docs/pymatgen.db.builders.html | 441 ++-- docs/pymatgen.db.html | 415 ++-- docs/pymatgen.db.vv.html | 585 ++--- docs/pymatgen.html | 21 +- docs/search.html | 18 +- docs/searchindex.js | 2 +- pymatgen/db/__init__.py | 2 +- setup.py | 4 +- 57 files changed, 3279 insertions(+), 1177 deletions(-) create mode 100644 docs/_static/underscore-1.13.1.js diff --git a/docs/_modules/index.html b/docs/_modules/index.html index 259d8b2..9d36d9a 100644 --- a/docs/_modules/index.html +++ b/docs/_modules/index.html @@ -5,10 +5,10 @@ - Overview: module code — pymatgen-db 2021.5.13 documentation - - - + Overview: module code — pymatgen-db 2021.5.28 documentation + + + @@ -37,7 +37,7 @@

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    • diff --git a/docs/_static/basic.css b/docs/_static/basic.css index b3bdc00..aa9df31 100644 --- a/docs/_static/basic.css +++ b/docs/_static/basic.css @@ -130,7 +130,7 @@ ul.search li a { font-weight: bold; } -ul.search li div.context { +ul.search li p.context { color: #888; margin: 2px 0 0 30px; text-align: left; @@ -508,6 +508,63 @@ table.hlist td { vertical-align: top; } +/* -- object description styles --------------------------------------------- */ + +.sig { + font-family: 'Consolas', 'Menlo', 'DejaVu Sans Mono', 'Bitstream Vera Sans Mono', monospace; +} + +.sig-name, code.descname { + background-color: transparent; + font-weight: bold; +} + +.sig-name { + font-size: 1.1em; +} + +code.descname { + font-size: 1.2em; +} + +.sig-prename, code.descclassname { + background-color: transparent; +} + +.optional { + font-size: 1.3em; +} + +.sig-paren { + font-size: larger; +} + +.sig-param.n { + font-style: italic; +} + +/* C++ specific styling */ + +.sig-inline.c-texpr, +.sig-inline.cpp-texpr { + font-family: unset; +} + +.sig.c .k, .sig.c .kt, +.sig.cpp .k, .sig.cpp .kt { + color: #0033B3; +} + +.sig.c .m, +.sig.cpp .m { + color: #1750EB; +} + +.sig.c .s, .sig.c .sc, +.sig.cpp .s, .sig.cpp .sc { + color: #067D17; +} + /* -- other body styles ----------------------------------------------------- */ @@ -634,14 +691,6 @@ dl.glossary dt { font-size: 1.1em; } -.optional { - font-size: 1.3em; -} - -.sig-paren { - font-size: larger; -} - .versionmodified { font-style: italic; } @@ -771,7 +820,11 @@ div.code-block-caption code { table.highlighttable td.linenos, span.linenos, div.doctest > div.highlight span.gp { /* gp: Generic.Prompt */ - user-select: none; + user-select: none; + -webkit-user-select: text; /* Safari fallback only */ + -webkit-user-select: none; /* Chrome/Safari */ + -moz-user-select: none; /* Firefox */ + -ms-user-select: none; /* IE10+ */ } div.code-block-caption span.caption-number { @@ -786,16 +839,6 @@ div.literal-block-wrapper { margin: 1em 0; } -code.descname { - background-color: transparent; - font-weight: bold; - font-size: 1.2em; -} - -code.descclassname { - background-color: transparent; -} - code.xref, a code { background-color: transparent; font-weight: bold; diff --git a/docs/_static/documentation_options.js b/docs/_static/documentation_options.js index 74933d9..788a7d1 100644 --- a/docs/_static/documentation_options.js +++ b/docs/_static/documentation_options.js @@ -1,6 +1,6 @@ var DOCUMENTATION_OPTIONS = { URL_ROOT: document.getElementById("documentation_options").getAttribute('data-url_root'), - VERSION: '2021.5.13', + VERSION: '2021.5.28', LANGUAGE: 'None', COLLAPSE_INDEX: false, BUILDER: 'html', diff --git a/docs/_static/searchtools.js b/docs/_static/searchtools.js index 1a90152..e09f926 100644 --- a/docs/_static/searchtools.js +++ b/docs/_static/searchtools.js @@ -509,7 +509,7 @@ var Search = { var excerpt = ((start > 0) ? '...' : '') + $.trim(text.substr(start, 240)) + ((start + 240 - text.length) ? '...' : ''); - var rv = $('
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We use `self` + // instead of `window` for `WebWorker` support. + var root = typeof self == 'object' && self.self === self && self || + typeof global == 'object' && global.global === global && global || + Function('return this')() || + {}; + + // Save bytes in the minified (but not gzipped) version: + var ArrayProto = Array.prototype, ObjProto = Object.prototype; + var SymbolProto = typeof Symbol !== 'undefined' ? Symbol.prototype : null; + + // Create quick reference variables for speed access to core prototypes. + var push = ArrayProto.push, + slice = ArrayProto.slice, + toString = ObjProto.toString, + hasOwnProperty = ObjProto.hasOwnProperty; + + // Modern feature detection. + var supportsArrayBuffer = typeof ArrayBuffer !== 'undefined', + supportsDataView = typeof DataView !== 'undefined'; + + // All **ECMAScript 5+** native function implementations that we hope to use + // are declared here. + var nativeIsArray = Array.isArray, + nativeKeys = Object.keys, + nativeCreate = Object.create, + nativeIsView = supportsArrayBuffer && ArrayBuffer.isView; + + // Create references to these builtin functions because we override them. + var _isNaN = isNaN, + _isFinite = isFinite; + + // Keys in IE < 9 that won't be iterated by `for key in ...` and thus missed. + var hasEnumBug = !{toString: null}.propertyIsEnumerable('toString'); + var nonEnumerableProps = ['valueOf', 'isPrototypeOf', 'toString', + 'propertyIsEnumerable', 'hasOwnProperty', 'toLocaleString']; + + // The largest integer that can be represented exactly. + var MAX_ARRAY_INDEX = Math.pow(2, 53) - 1; + + // Some functions take a variable number of arguments, or a few expected + // arguments at the beginning and then a variable number of values to operate + // on. This helper accumulates all remaining arguments past the function’s + // argument length (or an explicit `startIndex`), into an array that becomes + // the last argument. Similar to ES6’s "rest parameter". + function restArguments(func, startIndex) { + startIndex = startIndex == null ? func.length - 1 : +startIndex; + return function() { + var length = Math.max(arguments.length - startIndex, 0), + rest = Array(length), + index = 0; + for (; index < length; index++) { + rest[index] = arguments[index + startIndex]; + } + switch (startIndex) { + case 0: return func.call(this, rest); + case 1: return func.call(this, arguments[0], rest); + case 2: return func.call(this, arguments[0], arguments[1], rest); + } + var args = Array(startIndex + 1); + for (index = 0; index < startIndex; index++) { + args[index] = arguments[index]; + } + args[startIndex] = rest; + return func.apply(this, args); + }; + } + + // Is a given variable an object? + function isObject(obj) { + var type = typeof obj; + return type === 'function' || type === 'object' && !!obj; + } + + // Is a given value equal to null? + function isNull(obj) { + return obj === null; + } + + // Is a given variable undefined? + function isUndefined(obj) { + return obj === void 0; + } + + // Is a given value a boolean? + function isBoolean(obj) { + return obj === true || obj === false || toString.call(obj) === '[object Boolean]'; + } + + // Is a given value a DOM element? + function isElement(obj) { + return !!(obj && obj.nodeType === 1); + } + + // Internal function for creating a `toString`-based type tester. + function tagTester(name) { + var tag = '[object ' + name + ']'; + return function(obj) { + return toString.call(obj) === tag; + }; + } + + var isString = tagTester('String'); + + var isNumber = tagTester('Number'); + + var isDate = tagTester('Date'); + + var isRegExp = tagTester('RegExp'); + + var isError = tagTester('Error'); + + var isSymbol = tagTester('Symbol'); + + var isArrayBuffer = tagTester('ArrayBuffer'); + + var isFunction = tagTester('Function'); + + // Optimize `isFunction` if appropriate. Work around some `typeof` bugs in old + // v8, IE 11 (#1621), Safari 8 (#1929), and PhantomJS (#2236). + var nodelist = root.document && root.document.childNodes; + if (typeof /./ != 'function' && typeof Int8Array != 'object' && typeof nodelist != 'function') { + isFunction = function(obj) { + return typeof obj == 'function' || false; + }; + } + + var isFunction$1 = isFunction; + + var hasObjectTag = tagTester('Object'); + + // In IE 10 - Edge 13, `DataView` has string tag `'[object Object]'`. + // In IE 11, the most common among them, this problem also applies to + // `Map`, `WeakMap` and `Set`. + var hasStringTagBug = ( + supportsDataView && hasObjectTag(new DataView(new ArrayBuffer(8))) + ), + isIE11 = (typeof Map !== 'undefined' && hasObjectTag(new Map)); + + var isDataView = tagTester('DataView'); + + // In IE 10 - Edge 13, we need a different heuristic + // to determine whether an object is a `DataView`. + function ie10IsDataView(obj) { + return obj != null && isFunction$1(obj.getInt8) && isArrayBuffer(obj.buffer); + } + + var isDataView$1 = (hasStringTagBug ? ie10IsDataView : isDataView); + + // Is a given value an array? + // Delegates to ECMA5's native `Array.isArray`. + var isArray = nativeIsArray || tagTester('Array'); + + // Internal function to check whether `key` is an own property name of `obj`. + function has$1(obj, key) { + return obj != null && hasOwnProperty.call(obj, key); + } + + var isArguments = tagTester('Arguments'); + + // Define a fallback version of the method in browsers (ahem, IE < 9), where + // there isn't any inspectable "Arguments" type. + (function() { + if (!isArguments(arguments)) { + isArguments = function(obj) { + return has$1(obj, 'callee'); + }; + } + }()); + + var isArguments$1 = isArguments; + + // Is a given object a finite number? + function isFinite$1(obj) { + return !isSymbol(obj) && _isFinite(obj) && !isNaN(parseFloat(obj)); + } + + // Is the given value `NaN`? + function isNaN$1(obj) { + return isNumber(obj) && _isNaN(obj); + } + + // Predicate-generating function. Often useful outside of Underscore. + function constant(value) { + return function() { + return value; + }; + } + + // Common internal logic for `isArrayLike` and `isBufferLike`. + function createSizePropertyCheck(getSizeProperty) { + return function(collection) { + var sizeProperty = getSizeProperty(collection); + return typeof sizeProperty == 'number' && sizeProperty >= 0 && sizeProperty <= MAX_ARRAY_INDEX; + } + } + + // Internal helper to generate a function to obtain property `key` from `obj`. + function shallowProperty(key) { + return function(obj) { + return obj == null ? void 0 : obj[key]; + }; + } + + // Internal helper to obtain the `byteLength` property of an object. + var getByteLength = shallowProperty('byteLength'); + + // Internal helper to determine whether we should spend extensive checks against + // `ArrayBuffer` et al. + var isBufferLike = createSizePropertyCheck(getByteLength); + + // Is a given value a typed array? + var typedArrayPattern = /\[object ((I|Ui)nt(8|16|32)|Float(32|64)|Uint8Clamped|Big(I|Ui)nt64)Array\]/; + function isTypedArray(obj) { + // `ArrayBuffer.isView` is the most future-proof, so use it when available. + // Otherwise, fall back on the above regular expression. + return nativeIsView ? (nativeIsView(obj) && !isDataView$1(obj)) : + isBufferLike(obj) && typedArrayPattern.test(toString.call(obj)); + } + + var isTypedArray$1 = supportsArrayBuffer ? isTypedArray : constant(false); + + // Internal helper to obtain the `length` property of an object. + var getLength = shallowProperty('length'); + + // Internal helper to create a simple lookup structure. + // `collectNonEnumProps` used to depend on `_.contains`, but this led to + // circular imports. `emulatedSet` is a one-off solution that only works for + // arrays of strings. + function emulatedSet(keys) { + var hash = {}; + for (var l = keys.length, i = 0; i < l; ++i) hash[keys[i]] = true; + return { + contains: function(key) { return hash[key]; }, + push: function(key) { + hash[key] = true; + return keys.push(key); + } + }; + } + + // Internal helper. Checks `keys` for the presence of keys in IE < 9 that won't + // be iterated by `for key in ...` and thus missed. Extends `keys` in place if + // needed. + function collectNonEnumProps(obj, keys) { + keys = emulatedSet(keys); + var nonEnumIdx = nonEnumerableProps.length; + var constructor = obj.constructor; + var proto = isFunction$1(constructor) && constructor.prototype || ObjProto; + + // Constructor is a special case. + var prop = 'constructor'; + if (has$1(obj, prop) && !keys.contains(prop)) keys.push(prop); + + while (nonEnumIdx--) { + prop = nonEnumerableProps[nonEnumIdx]; + if (prop in obj && obj[prop] !== proto[prop] && !keys.contains(prop)) { + keys.push(prop); + } + } + } + + // Retrieve the names of an object's own properties. + // Delegates to **ECMAScript 5**'s native `Object.keys`. + function keys(obj) { + if (!isObject(obj)) return []; + if (nativeKeys) return nativeKeys(obj); + var keys = []; + for (var key in obj) if (has$1(obj, key)) keys.push(key); + // Ahem, IE < 9. + if (hasEnumBug) collectNonEnumProps(obj, keys); + return keys; + } + + // Is a given array, string, or object empty? + // An "empty" object has no enumerable own-properties. + function isEmpty(obj) { + if (obj == null) return true; + // Skip the more expensive `toString`-based type checks if `obj` has no + // `.length`. + var length = getLength(obj); + if (typeof length == 'number' && ( + isArray(obj) || isString(obj) || isArguments$1(obj) + )) return length === 0; + return getLength(keys(obj)) === 0; + } + + // Returns whether an object has a given set of `key:value` pairs. + function isMatch(object, attrs) { + var _keys = keys(attrs), length = _keys.length; + if (object == null) return !length; + var obj = Object(object); + for (var i = 0; i < length; i++) { + var key = _keys[i]; + if (attrs[key] !== obj[key] || !(key in obj)) return false; + } + return true; + } + + // If Underscore is called as a function, it returns a wrapped object that can + // be used OO-style. This wrapper holds altered versions of all functions added + // through `_.mixin`. Wrapped objects may be chained. + function _$1(obj) { + if (obj instanceof _$1) return obj; + if (!(this instanceof _$1)) return new _$1(obj); + this._wrapped = obj; + } + + _$1.VERSION = VERSION; + + // Extracts the result from a wrapped and chained object. + _$1.prototype.value = function() { + return this._wrapped; + }; + + // Provide unwrapping proxies for some methods used in engine operations + // such as arithmetic and JSON stringification. + _$1.prototype.valueOf = _$1.prototype.toJSON = _$1.prototype.value; + + _$1.prototype.toString = function() { + return String(this._wrapped); + }; + + // Internal function to wrap or shallow-copy an ArrayBuffer, + // typed array or DataView to a new view, reusing the buffer. + function toBufferView(bufferSource) { + return new Uint8Array( + bufferSource.buffer || bufferSource, + bufferSource.byteOffset || 0, + getByteLength(bufferSource) + ); + } + + // We use this string twice, so give it a name for minification. + var tagDataView = '[object DataView]'; + + // Internal recursive comparison function for `_.isEqual`. + function eq(a, b, aStack, bStack) { + // Identical objects are equal. `0 === -0`, but they aren't identical. + // See the [Harmony `egal` proposal](https://wiki.ecmascript.org/doku.php?id=harmony:egal). + if (a === b) return a !== 0 || 1 / a === 1 / b; + // `null` or `undefined` only equal to itself (strict comparison). + if (a == null || b == null) return false; + // `NaN`s are equivalent, but non-reflexive. + if (a !== a) return b !== b; + // Exhaust primitive checks + var type = typeof a; + if (type !== 'function' && type !== 'object' && typeof b != 'object') return false; + return deepEq(a, b, aStack, bStack); + } + + // Internal recursive comparison function for `_.isEqual`. + function deepEq(a, b, aStack, bStack) { + // Unwrap any wrapped objects. + if (a instanceof _$1) a = a._wrapped; + if (b instanceof _$1) b = b._wrapped; + // Compare `[[Class]]` names. + var className = toString.call(a); + if (className !== toString.call(b)) return false; + // Work around a bug in IE 10 - Edge 13. + if (hasStringTagBug && className == '[object Object]' && isDataView$1(a)) { + if (!isDataView$1(b)) return false; + className = tagDataView; + } + switch (className) { + // These types are compared by value. + case '[object RegExp]': + // RegExps are coerced to strings for comparison (Note: '' + /a/i === '/a/i') + case '[object String]': + // Primitives and their corresponding object wrappers are equivalent; thus, `"5"` is + // equivalent to `new String("5")`. + return '' + a === '' + b; + case '[object Number]': + // `NaN`s are equivalent, but non-reflexive. + // Object(NaN) is equivalent to NaN. + if (+a !== +a) return +b !== +b; + // An `egal` comparison is performed for other numeric values. + return +a === 0 ? 1 / +a === 1 / b : +a === +b; + case '[object Date]': + case '[object Boolean]': + // Coerce dates and booleans to numeric primitive values. Dates are compared by their + // millisecond representations. Note that invalid dates with millisecond representations + // of `NaN` are not equivalent. + return +a === +b; + case '[object Symbol]': + return SymbolProto.valueOf.call(a) === SymbolProto.valueOf.call(b); + case '[object ArrayBuffer]': + case tagDataView: + // Coerce to typed array so we can fall through. + return deepEq(toBufferView(a), toBufferView(b), aStack, bStack); + } + + var areArrays = className === '[object Array]'; + if (!areArrays && isTypedArray$1(a)) { + var byteLength = getByteLength(a); + if (byteLength !== getByteLength(b)) return false; + if (a.buffer === b.buffer && a.byteOffset === b.byteOffset) return true; + areArrays = true; + } + if (!areArrays) { + if (typeof a != 'object' || typeof b != 'object') return false; + + // Objects with different constructors are not equivalent, but `Object`s or `Array`s + // from different frames are. + var aCtor = a.constructor, bCtor = b.constructor; + if (aCtor !== bCtor && !(isFunction$1(aCtor) && aCtor instanceof aCtor && + isFunction$1(bCtor) && bCtor instanceof bCtor) + && ('constructor' in a && 'constructor' in b)) { + return false; + } + } + // Assume equality for cyclic structures. The algorithm for detecting cyclic + // structures is adapted from ES 5.1 section 15.12.3, abstract operation `JO`. + + // Initializing stack of traversed objects. + // It's done here since we only need them for objects and arrays comparison. + aStack = aStack || []; + bStack = bStack || []; + var length = aStack.length; + while (length--) { + // Linear search. Performance is inversely proportional to the number of + // unique nested structures. + if (aStack[length] === a) return bStack[length] === b; + } + + // Add the first object to the stack of traversed objects. + aStack.push(a); + bStack.push(b); + + // Recursively compare objects and arrays. + if (areArrays) { + // Compare array lengths to determine if a deep comparison is necessary. + length = a.length; + if (length !== b.length) return false; + // Deep compare the contents, ignoring non-numeric properties. + while (length--) { + if (!eq(a[length], b[length], aStack, bStack)) return false; + } + } else { + // Deep compare objects. + var _keys = keys(a), key; + length = _keys.length; + // Ensure that both objects contain the same number of properties before comparing deep equality. + if (keys(b).length !== length) return false; + while (length--) { + // Deep compare each member + key = _keys[length]; + if (!(has$1(b, key) && eq(a[key], b[key], aStack, bStack))) return false; + } + } + // Remove the first object from the stack of traversed objects. + aStack.pop(); + bStack.pop(); + return true; + } + + // Perform a deep comparison to check if two objects are equal. + function isEqual(a, b) { + return eq(a, b); + } + + // Retrieve all the enumerable property names of an object. + function allKeys(obj) { + if (!isObject(obj)) return []; + var keys = []; + for (var key in obj) keys.push(key); + // Ahem, IE < 9. + if (hasEnumBug) collectNonEnumProps(obj, keys); + return keys; + } + + // Since the regular `Object.prototype.toString` type tests don't work for + // some types in IE 11, we use a fingerprinting heuristic instead, based + // on the methods. It's not great, but it's the best we got. + // The fingerprint method lists are defined below. + function ie11fingerprint(methods) { + var length = getLength(methods); + return function(obj) { + if (obj == null) return false; + // `Map`, `WeakMap` and `Set` have no enumerable keys. + var keys = allKeys(obj); + if (getLength(keys)) return false; + for (var i = 0; i < length; i++) { + if (!isFunction$1(obj[methods[i]])) return false; + } + // If we are testing against `WeakMap`, we need to ensure that + // `obj` doesn't have a `forEach` method in order to distinguish + // it from a regular `Map`. + return methods !== weakMapMethods || !isFunction$1(obj[forEachName]); + }; + } + + // In the interest of compact minification, we write + // each string in the fingerprints only once. + var forEachName = 'forEach', + hasName = 'has', + commonInit = ['clear', 'delete'], + mapTail = ['get', hasName, 'set']; + + // `Map`, `WeakMap` and `Set` each have slightly different + // combinations of the above sublists. + var mapMethods = commonInit.concat(forEachName, mapTail), + weakMapMethods = commonInit.concat(mapTail), + setMethods = ['add'].concat(commonInit, forEachName, hasName); + + var isMap = isIE11 ? ie11fingerprint(mapMethods) : tagTester('Map'); + + var isWeakMap = isIE11 ? ie11fingerprint(weakMapMethods) : tagTester('WeakMap'); + + var isSet = isIE11 ? ie11fingerprint(setMethods) : tagTester('Set'); + + var isWeakSet = tagTester('WeakSet'); + + // Retrieve the values of an object's properties. + function values(obj) { + var _keys = keys(obj); + var length = _keys.length; + var values = Array(length); + for (var i = 0; i < length; i++) { + values[i] = obj[_keys[i]]; + } + return values; + } + + // Convert an object into a list of `[key, value]` pairs. + // The opposite of `_.object` with one argument. + function pairs(obj) { + var _keys = keys(obj); + var length = _keys.length; + var pairs = Array(length); + for (var i = 0; i < length; i++) { + pairs[i] = [_keys[i], obj[_keys[i]]]; + } + return pairs; + } + + // Invert the keys and values of an object. The values must be serializable. + function invert(obj) { + var result = {}; + var _keys = keys(obj); + for (var i = 0, length = _keys.length; i < length; i++) { + result[obj[_keys[i]]] = _keys[i]; + } + return result; + } + + // Return a sorted list of the function names available on the object. + function functions(obj) { + var names = []; + for (var key in obj) { + if (isFunction$1(obj[key])) names.push(key); + } + return names.sort(); + } + + // An internal function for creating assigner functions. + function createAssigner(keysFunc, defaults) { + return function(obj) { + var length = arguments.length; + if (defaults) obj = Object(obj); + if (length < 2 || obj == null) return obj; + for (var index = 1; index < length; index++) { + var source = arguments[index], + keys = keysFunc(source), + l = keys.length; + for (var i = 0; i < l; i++) { + var key = keys[i]; + if (!defaults || obj[key] === void 0) obj[key] = source[key]; + } + } + return obj; + }; + } + + // Extend a given object with all the properties in passed-in object(s). + var extend = createAssigner(allKeys); + + // Assigns a given object with all the own properties in the passed-in + // object(s). + // (https://developer.mozilla.org/docs/Web/JavaScript/Reference/Global_Objects/Object/assign) + var extendOwn = createAssigner(keys); + + // Fill in a given object with default properties. + var defaults = createAssigner(allKeys, true); + + // Create a naked function reference for surrogate-prototype-swapping. + function ctor() { + return function(){}; + } + + // An internal function for creating a new object that inherits from another. + function baseCreate(prototype) { + if (!isObject(prototype)) return {}; + if (nativeCreate) return nativeCreate(prototype); + var Ctor = ctor(); + Ctor.prototype = prototype; + var result = new Ctor; + Ctor.prototype = null; + return result; + } + + // Creates an object that inherits from the given prototype object. + // If additional properties are provided then they will be added to the + // created object. + function create(prototype, props) { + var result = baseCreate(prototype); + if (props) extendOwn(result, props); + return result; + } + + // Create a (shallow-cloned) duplicate of an object. + function clone(obj) { + if (!isObject(obj)) return obj; + return isArray(obj) ? obj.slice() : extend({}, obj); + } + + // Invokes `interceptor` with the `obj` and then returns `obj`. + // The primary purpose of this method is to "tap into" a method chain, in + // order to perform operations on intermediate results within the chain. + function tap(obj, interceptor) { + interceptor(obj); + return obj; + } + + // Normalize a (deep) property `path` to array. + // Like `_.iteratee`, this function can be customized. + function toPath$1(path) { + return isArray(path) ? path : [path]; + } + _$1.toPath = toPath$1; + + // Internal wrapper for `_.toPath` to enable minification. + // Similar to `cb` for `_.iteratee`. + function toPath(path) { + return _$1.toPath(path); + } + + // Internal function to obtain a nested property in `obj` along `path`. + function deepGet(obj, path) { + var length = path.length; + for (var i = 0; i < length; i++) { + if (obj == null) return void 0; + obj = obj[path[i]]; + } + return length ? obj : void 0; + } + + // Get the value of the (deep) property on `path` from `object`. + // If any property in `path` does not exist or if the value is + // `undefined`, return `defaultValue` instead. + // The `path` is normalized through `_.toPath`. + function get(object, path, defaultValue) { + var value = deepGet(object, toPath(path)); + return isUndefined(value) ? defaultValue : value; + } + + // Shortcut function for checking if an object has a given property directly on + // itself (in other words, not on a prototype). Unlike the internal `has` + // function, this public version can also traverse nested properties. + function has(obj, path) { + path = toPath(path); + var length = path.length; + for (var i = 0; i < length; i++) { + var key = path[i]; + if (!has$1(obj, key)) return false; + obj = obj[key]; + } + return !!length; + } + + // Keep the identity function around for default iteratees. + function identity(value) { + return value; + } + + // Returns a predicate for checking whether an object has a given set of + // `key:value` pairs. + function matcher(attrs) { + attrs = extendOwn({}, attrs); + return function(obj) { + return isMatch(obj, attrs); + }; + } + + // Creates a function that, when passed an object, will traverse that object’s + // properties down the given `path`, specified as an array of keys or indices. + function property(path) { + path = toPath(path); + return function(obj) { + return deepGet(obj, path); + }; + } + + // Internal function that returns an efficient (for current engines) version + // of the passed-in callback, to be repeatedly applied in other Underscore + // functions. + function optimizeCb(func, context, argCount) { + if (context === void 0) return func; + switch (argCount == null ? 3 : argCount) { + case 1: return function(value) { + return func.call(context, value); + }; + // The 2-argument case is omitted because we’re not using it. + case 3: return function(value, index, collection) { + return func.call(context, value, index, collection); + }; + case 4: return function(accumulator, value, index, collection) { + return func.call(context, accumulator, value, index, collection); + }; + } + return function() { + return func.apply(context, arguments); + }; + } + + // An internal function to generate callbacks that can be applied to each + // element in a collection, returning the desired result — either `_.identity`, + // an arbitrary callback, a property matcher, or a property accessor. + function baseIteratee(value, context, argCount) { + if (value == null) return identity; + if (isFunction$1(value)) return optimizeCb(value, context, argCount); + if (isObject(value) && !isArray(value)) return matcher(value); + return property(value); + } + + // External wrapper for our callback generator. Users may customize + // `_.iteratee` if they want additional predicate/iteratee shorthand styles. + // This abstraction hides the internal-only `argCount` argument. + function iteratee(value, context) { + return baseIteratee(value, context, Infinity); + } + _$1.iteratee = iteratee; + + // The function we call internally to generate a callback. It invokes + // `_.iteratee` if overridden, otherwise `baseIteratee`. + function cb(value, context, argCount) { + if (_$1.iteratee !== iteratee) return _$1.iteratee(value, context); + return baseIteratee(value, context, argCount); + } + + // Returns the results of applying the `iteratee` to each element of `obj`. + // In contrast to `_.map` it returns an object. + function mapObject(obj, iteratee, context) { + iteratee = cb(iteratee, context); + var _keys = keys(obj), + length = _keys.length, + results = {}; + for (var index = 0; index < length; index++) { + var currentKey = _keys[index]; + results[currentKey] = iteratee(obj[currentKey], currentKey, obj); + } + return results; + } + + // Predicate-generating function. Often useful outside of Underscore. + function noop(){} + + // Generates a function for a given object that returns a given property. + function propertyOf(obj) { + if (obj == null) return noop; + return function(path) { + return get(obj, path); + }; + } + + // Run a function **n** times. + function times(n, iteratee, context) { + var accum = Array(Math.max(0, n)); + iteratee = optimizeCb(iteratee, context, 1); + for (var i = 0; i < n; i++) accum[i] = iteratee(i); + return accum; + } + + // Return a random integer between `min` and `max` (inclusive). + function random(min, max) { + if (max == null) { + max = min; + min = 0; + } + return min + Math.floor(Math.random() * (max - min + 1)); + } + + // A (possibly faster) way to get the current timestamp as an integer. + var now = Date.now || function() { + return new Date().getTime(); + }; + + // Internal helper to generate functions for escaping and unescaping strings + // to/from HTML interpolation. + function createEscaper(map) { + var escaper = function(match) { + return map[match]; + }; + // Regexes for identifying a key that needs to be escaped. + var source = '(?:' + keys(map).join('|') + ')'; + var testRegexp = RegExp(source); + var replaceRegexp = RegExp(source, 'g'); + return function(string) { + string = string == null ? '' : '' + string; + return testRegexp.test(string) ? string.replace(replaceRegexp, escaper) : string; + }; + } + + // Internal list of HTML entities for escaping. + var escapeMap = { + '&': '&', + '<': '<', + '>': '>', + '"': '"', + "'": ''', + '`': '`' + }; + + // Function for escaping strings to HTML interpolation. + var _escape = createEscaper(escapeMap); + + // Internal list of HTML entities for unescaping. + var unescapeMap = invert(escapeMap); + + // Function for unescaping strings from HTML interpolation. + var _unescape = createEscaper(unescapeMap); + + // By default, Underscore uses ERB-style template delimiters. Change the + // following template settings to use alternative delimiters. + var templateSettings = _$1.templateSettings = { + evaluate: /<%([\s\S]+?)%>/g, + interpolate: /<%=([\s\S]+?)%>/g, + escape: /<%-([\s\S]+?)%>/g + }; + + // When customizing `_.templateSettings`, if you don't want to define an + // interpolation, evaluation or escaping regex, we need one that is + // guaranteed not to match. + var noMatch = /(.)^/; + + // Certain characters need to be escaped so that they can be put into a + // string literal. + var escapes = { + "'": "'", + '\\': '\\', + '\r': 'r', + '\n': 'n', + '\u2028': 'u2028', + '\u2029': 'u2029' + }; + + var escapeRegExp = /\\|'|\r|\n|\u2028|\u2029/g; + + function escapeChar(match) { + return '\\' + escapes[match]; + } + + // In order to prevent third-party code injection through + // `_.templateSettings.variable`, we test it against the following regular + // expression. It is intentionally a bit more liberal than just matching valid + // identifiers, but still prevents possible loopholes through defaults or + // destructuring assignment. + var bareIdentifier = /^\s*(\w|\$)+\s*$/; + + // JavaScript micro-templating, similar to John Resig's implementation. + // Underscore templating handles arbitrary delimiters, preserves whitespace, + // and correctly escapes quotes within interpolated code. + // NB: `oldSettings` only exists for backwards compatibility. + function template(text, settings, oldSettings) { + if (!settings && oldSettings) settings = oldSettings; + settings = defaults({}, settings, _$1.templateSettings); + + // Combine delimiters into one regular expression via alternation. + var matcher = RegExp([ + (settings.escape || noMatch).source, + (settings.interpolate || noMatch).source, + (settings.evaluate || noMatch).source + ].join('|') + '|$', 'g'); + + // Compile the template source, escaping string literals appropriately. + var index = 0; + var source = "__p+='"; + text.replace(matcher, function(match, escape, interpolate, evaluate, offset) { + source += text.slice(index, offset).replace(escapeRegExp, escapeChar); + index = offset + match.length; + + if (escape) { + source += "'+\n((__t=(" + escape + "))==null?'':_.escape(__t))+\n'"; + } else if (interpolate) { + source += "'+\n((__t=(" + interpolate + "))==null?'':__t)+\n'"; + } else if (evaluate) { + source += "';\n" + evaluate + "\n__p+='"; + } + + // Adobe VMs need the match returned to produce the correct offset. + return match; + }); + source += "';\n"; + + var argument = settings.variable; + if (argument) { + // Insure against third-party code injection. (CVE-2021-23358) + if (!bareIdentifier.test(argument)) throw new Error( + 'variable is not a bare identifier: ' + argument + ); + } else { + // If a variable is not specified, place data values in local scope. + source = 'with(obj||{}){\n' + source + '}\n'; + argument = 'obj'; + } + + source = "var __t,__p='',__j=Array.prototype.join," + + "print=function(){__p+=__j.call(arguments,'');};\n" + + source + 'return __p;\n'; + + var render; + try { + render = new Function(argument, '_', source); + } catch (e) { + e.source = source; + throw e; + } + + var template = function(data) { + return render.call(this, data, _$1); + }; + + // Provide the compiled source as a convenience for precompilation. + template.source = 'function(' + argument + '){\n' + source + '}'; + + return template; + } + + // Traverses the children of `obj` along `path`. If a child is a function, it + // is invoked with its parent as context. Returns the value of the final + // child, or `fallback` if any child is undefined. + function result(obj, path, fallback) { + path = toPath(path); + var length = path.length; + if (!length) { + return isFunction$1(fallback) ? fallback.call(obj) : fallback; + } + for (var i = 0; i < length; i++) { + var prop = obj == null ? void 0 : obj[path[i]]; + if (prop === void 0) { + prop = fallback; + i = length; // Ensure we don't continue iterating. + } + obj = isFunction$1(prop) ? prop.call(obj) : prop; + } + return obj; + } + + // Generate a unique integer id (unique within the entire client session). + // Useful for temporary DOM ids. + var idCounter = 0; + function uniqueId(prefix) { + var id = ++idCounter + ''; + return prefix ? prefix + id : id; + } + + // Start chaining a wrapped Underscore object. + function chain(obj) { + var instance = _$1(obj); + instance._chain = true; + return instance; + } + + // Internal function to execute `sourceFunc` bound to `context` with optional + // `args`. Determines whether to execute a function as a constructor or as a + // normal function. + function executeBound(sourceFunc, boundFunc, context, callingContext, args) { + if (!(callingContext instanceof boundFunc)) return sourceFunc.apply(context, args); + var self = baseCreate(sourceFunc.prototype); + var result = sourceFunc.apply(self, args); + if (isObject(result)) return result; + return self; + } + + // Partially apply a function by creating a version that has had some of its + // arguments pre-filled, without changing its dynamic `this` context. `_` acts + // as a placeholder by default, allowing any combination of arguments to be + // pre-filled. Set `_.partial.placeholder` for a custom placeholder argument. + var partial = restArguments(function(func, boundArgs) { + var placeholder = partial.placeholder; + var bound = function() { + var position = 0, length = boundArgs.length; + var args = Array(length); + for (var i = 0; i < length; i++) { + args[i] = boundArgs[i] === placeholder ? arguments[position++] : boundArgs[i]; + } + while (position < arguments.length) args.push(arguments[position++]); + return executeBound(func, bound, this, this, args); + }; + return bound; + }); + + partial.placeholder = _$1; + + // Create a function bound to a given object (assigning `this`, and arguments, + // optionally). + var bind = restArguments(function(func, context, args) { + if (!isFunction$1(func)) throw new TypeError('Bind must be called on a function'); + var bound = restArguments(function(callArgs) { + return executeBound(func, bound, context, this, args.concat(callArgs)); + }); + return bound; + }); + + // Internal helper for collection methods to determine whether a collection + // should be iterated as an array or as an object. + // Related: https://people.mozilla.org/~jorendorff/es6-draft.html#sec-tolength + // Avoids a very nasty iOS 8 JIT bug on ARM-64. #2094 + var isArrayLike = createSizePropertyCheck(getLength); + + // Internal implementation of a recursive `flatten` function. + function flatten$1(input, depth, strict, output) { + output = output || []; + if (!depth && depth !== 0) { + depth = Infinity; + } else if (depth <= 0) { + return output.concat(input); + } + var idx = output.length; + for (var i = 0, length = getLength(input); i < length; i++) { + var value = input[i]; + if (isArrayLike(value) && (isArray(value) || isArguments$1(value))) { + // Flatten current level of array or arguments object. + if (depth > 1) { + flatten$1(value, depth - 1, strict, output); + idx = output.length; + } else { + var j = 0, len = value.length; + while (j < len) output[idx++] = value[j++]; + } + } else if (!strict) { + output[idx++] = value; + } + } + return output; + } + + // Bind a number of an object's methods to that object. Remaining arguments + // are the method names to be bound. Useful for ensuring that all callbacks + // defined on an object belong to it. + var bindAll = restArguments(function(obj, keys) { + keys = flatten$1(keys, false, false); + var index = keys.length; + if (index < 1) throw new Error('bindAll must be passed function names'); + while (index--) { + var key = keys[index]; + obj[key] = bind(obj[key], obj); + } + return obj; + }); + + // Memoize an expensive function by storing its results. + function memoize(func, hasher) { + var memoize = function(key) { + var cache = memoize.cache; + var address = '' + (hasher ? hasher.apply(this, arguments) : key); + if (!has$1(cache, address)) cache[address] = func.apply(this, arguments); + return cache[address]; + }; + memoize.cache = {}; + return memoize; + } + + // Delays a function for the given number of milliseconds, and then calls + // it with the arguments supplied. + var delay = restArguments(function(func, wait, args) { + return setTimeout(function() { + return func.apply(null, args); + }, wait); + }); + + // Defers a function, scheduling it to run after the current call stack has + // cleared. + var defer = partial(delay, _$1, 1); + + // Returns a function, that, when invoked, will only be triggered at most once + // during a given window of time. Normally, the throttled function will run + // as much as it can, without ever going more than once per `wait` duration; + // but if you'd like to disable the execution on the leading edge, pass + // `{leading: false}`. To disable execution on the trailing edge, ditto. + function throttle(func, wait, options) { + var timeout, context, args, result; + var previous = 0; + if (!options) options = {}; + + var later = function() { + previous = options.leading === false ? 0 : now(); + timeout = null; + result = func.apply(context, args); + if (!timeout) context = args = null; + }; + + var throttled = function() { + var _now = now(); + if (!previous && options.leading === false) previous = _now; + var remaining = wait - (_now - previous); + context = this; + args = arguments; + if (remaining <= 0 || remaining > wait) { + if (timeout) { + clearTimeout(timeout); + timeout = null; + } + previous = _now; + result = func.apply(context, args); + if (!timeout) context = args = null; + } else if (!timeout && options.trailing !== false) { + timeout = setTimeout(later, remaining); + } + return result; + }; + + throttled.cancel = function() { + clearTimeout(timeout); + previous = 0; + timeout = context = args = null; + }; + + return throttled; + } + + // When a sequence of calls of the returned function ends, the argument + // function is triggered. The end of a sequence is defined by the `wait` + // parameter. If `immediate` is passed, the argument function will be + // triggered at the beginning of the sequence instead of at the end. + function debounce(func, wait, immediate) { + var timeout, previous, args, result, context; + + var later = function() { + var passed = now() - previous; + if (wait > passed) { + timeout = setTimeout(later, wait - passed); + } else { + timeout = null; + if (!immediate) result = func.apply(context, args); + // This check is needed because `func` can recursively invoke `debounced`. + if (!timeout) args = context = null; + } + }; + + var debounced = restArguments(function(_args) { + context = this; + args = _args; + previous = now(); + if (!timeout) { + timeout = setTimeout(later, wait); + if (immediate) result = func.apply(context, args); + } + return result; + }); + + debounced.cancel = function() { + clearTimeout(timeout); + timeout = args = context = null; + }; + + return debounced; + } + + // Returns the first function passed as an argument to the second, + // allowing you to adjust arguments, run code before and after, and + // conditionally execute the original function. + function wrap(func, wrapper) { + return partial(wrapper, func); + } + + // Returns a negated version of the passed-in predicate. + function negate(predicate) { + return function() { + return !predicate.apply(this, arguments); + }; + } + + // Returns a function that is the composition of a list of functions, each + // consuming the return value of the function that follows. + function compose() { + var args = arguments; + var start = args.length - 1; + return function() { + var i = start; + var result = args[start].apply(this, arguments); + while (i--) result = args[i].call(this, result); + return result; + }; + } + + // Returns a function that will only be executed on and after the Nth call. + function after(times, func) { + return function() { + if (--times < 1) { + return func.apply(this, arguments); + } + }; + } + + // Returns a function that will only be executed up to (but not including) the + // Nth call. + function before(times, func) { + var memo; + return function() { + if (--times > 0) { + memo = func.apply(this, arguments); + } + if (times <= 1) func = null; + return memo; + }; + } + + // Returns a function that will be executed at most one time, no matter how + // often you call it. Useful for lazy initialization. + var once = partial(before, 2); + + // Returns the first key on an object that passes a truth test. + function findKey(obj, predicate, context) { + predicate = cb(predicate, context); + var _keys = keys(obj), key; + for (var i = 0, length = _keys.length; i < length; i++) { + key = _keys[i]; + if (predicate(obj[key], key, obj)) return key; + } + } + + // Internal function to generate `_.findIndex` and `_.findLastIndex`. + function createPredicateIndexFinder(dir) { + return function(array, predicate, context) { + predicate = cb(predicate, context); + var length = getLength(array); + var index = dir > 0 ? 0 : length - 1; + for (; index >= 0 && index < length; index += dir) { + if (predicate(array[index], index, array)) return index; + } + return -1; + }; + } + + // Returns the first index on an array-like that passes a truth test. + var findIndex = createPredicateIndexFinder(1); + + // Returns the last index on an array-like that passes a truth test. + var findLastIndex = createPredicateIndexFinder(-1); + + // Use a comparator function to figure out the smallest index at which + // an object should be inserted so as to maintain order. Uses binary search. + function sortedIndex(array, obj, iteratee, context) { + iteratee = cb(iteratee, context, 1); + var value = iteratee(obj); + var low = 0, high = getLength(array); + while (low < high) { + var mid = Math.floor((low + high) / 2); + if (iteratee(array[mid]) < value) low = mid + 1; else high = mid; + } + return low; + } + + // Internal function to generate the `_.indexOf` and `_.lastIndexOf` functions. + function createIndexFinder(dir, predicateFind, sortedIndex) { + return function(array, item, idx) { + var i = 0, length = getLength(array); + if (typeof idx == 'number') { + if (dir > 0) { + i = idx >= 0 ? idx : Math.max(idx + length, i); + } else { + length = idx >= 0 ? Math.min(idx + 1, length) : idx + length + 1; + } + } else if (sortedIndex && idx && length) { + idx = sortedIndex(array, item); + return array[idx] === item ? idx : -1; + } + if (item !== item) { + idx = predicateFind(slice.call(array, i, length), isNaN$1); + return idx >= 0 ? idx + i : -1; + } + for (idx = dir > 0 ? i : length - 1; idx >= 0 && idx < length; idx += dir) { + if (array[idx] === item) return idx; + } + return -1; + }; + } + + // Return the position of the first occurrence of an item in an array, + // or -1 if the item is not included in the array. + // If the array is large and already in sort order, pass `true` + // for **isSorted** to use binary search. + var indexOf = createIndexFinder(1, findIndex, sortedIndex); + + // Return the position of the last occurrence of an item in an array, + // or -1 if the item is not included in the array. + var lastIndexOf = createIndexFinder(-1, findLastIndex); + + // Return the first value which passes a truth test. + function find(obj, predicate, context) { + var keyFinder = isArrayLike(obj) ? findIndex : findKey; + var key = keyFinder(obj, predicate, context); + if (key !== void 0 && key !== -1) return obj[key]; + } + + // Convenience version of a common use case of `_.find`: getting the first + // object containing specific `key:value` pairs. + function findWhere(obj, attrs) { + return find(obj, matcher(attrs)); + } + + // The cornerstone for collection functions, an `each` + // implementation, aka `forEach`. + // Handles raw objects in addition to array-likes. Treats all + // sparse array-likes as if they were dense. + function each(obj, iteratee, context) { + iteratee = optimizeCb(iteratee, context); + var i, length; + if (isArrayLike(obj)) { + for (i = 0, length = obj.length; i < length; i++) { + iteratee(obj[i], i, obj); + } + } else { + var _keys = keys(obj); + for (i = 0, length = _keys.length; i < length; i++) { + iteratee(obj[_keys[i]], _keys[i], obj); + } + } + return obj; + } + + // Return the results of applying the iteratee to each element. + function map(obj, iteratee, context) { + iteratee = cb(iteratee, context); + var _keys = !isArrayLike(obj) && keys(obj), + length = (_keys || obj).length, + results = Array(length); + for (var index = 0; index < length; index++) { + var currentKey = _keys ? _keys[index] : index; + results[index] = iteratee(obj[currentKey], currentKey, obj); + } + return results; + } + + // Internal helper to create a reducing function, iterating left or right. + function createReduce(dir) { + // Wrap code that reassigns argument variables in a separate function than + // the one that accesses `arguments.length` to avoid a perf hit. (#1991) + var reducer = function(obj, iteratee, memo, initial) { + var _keys = !isArrayLike(obj) && keys(obj), + length = (_keys || obj).length, + index = dir > 0 ? 0 : length - 1; + if (!initial) { + memo = obj[_keys ? _keys[index] : index]; + index += dir; + } + for (; index >= 0 && index < length; index += dir) { + var currentKey = _keys ? _keys[index] : index; + memo = iteratee(memo, obj[currentKey], currentKey, obj); + } + return memo; + }; + + return function(obj, iteratee, memo, context) { + var initial = arguments.length >= 3; + return reducer(obj, optimizeCb(iteratee, context, 4), memo, initial); + }; + } + + // **Reduce** builds up a single result from a list of values, aka `inject`, + // or `foldl`. + var reduce = createReduce(1); + + // The right-associative version of reduce, also known as `foldr`. + var reduceRight = createReduce(-1); + + // Return all the elements that pass a truth test. + function filter(obj, predicate, context) { + var results = []; + predicate = cb(predicate, context); + each(obj, function(value, index, list) { + if (predicate(value, index, list)) results.push(value); + }); + return results; + } + + // Return all the elements for which a truth test fails. + function reject(obj, predicate, context) { + return filter(obj, negate(cb(predicate)), context); + } + + // Determine whether all of the elements pass a truth test. + function every(obj, predicate, context) { + predicate = cb(predicate, context); + var _keys = !isArrayLike(obj) && keys(obj), + length = (_keys || obj).length; + for (var index = 0; index < length; index++) { + var currentKey = _keys ? _keys[index] : index; + if (!predicate(obj[currentKey], currentKey, obj)) return false; + } + return true; + } + + // Determine if at least one element in the object passes a truth test. + function some(obj, predicate, context) { + predicate = cb(predicate, context); + var _keys = !isArrayLike(obj) && keys(obj), + length = (_keys || obj).length; + for (var index = 0; index < length; index++) { + var currentKey = _keys ? _keys[index] : index; + if (predicate(obj[currentKey], currentKey, obj)) return true; + } + return false; + } + + // Determine if the array or object contains a given item (using `===`). + function contains(obj, item, fromIndex, guard) { + if (!isArrayLike(obj)) obj = values(obj); + if (typeof fromIndex != 'number' || guard) fromIndex = 0; + return indexOf(obj, item, fromIndex) >= 0; + } + + // Invoke a method (with arguments) on every item in a collection. + var invoke = restArguments(function(obj, path, args) { + var contextPath, func; + if (isFunction$1(path)) { + func = path; + } else { + path = toPath(path); + contextPath = path.slice(0, -1); + path = path[path.length - 1]; + } + return map(obj, function(context) { + var method = func; + if (!method) { + if (contextPath && contextPath.length) { + context = deepGet(context, contextPath); + } + if (context == null) return void 0; + method = context[path]; + } + return method == null ? method : method.apply(context, args); + }); + }); + + // Convenience version of a common use case of `_.map`: fetching a property. + function pluck(obj, key) { + return map(obj, property(key)); + } + + // Convenience version of a common use case of `_.filter`: selecting only + // objects containing specific `key:value` pairs. + function where(obj, attrs) { + return filter(obj, matcher(attrs)); + } + + // Return the maximum element (or element-based computation). + function max(obj, iteratee, context) { + var result = -Infinity, lastComputed = -Infinity, + value, computed; + if (iteratee == null || typeof iteratee == 'number' && typeof obj[0] != 'object' && obj != null) { + obj = isArrayLike(obj) ? obj : values(obj); + for (var i = 0, length = obj.length; i < length; i++) { + value = obj[i]; + if (value != null && value > result) { + result = value; + } + } + } else { + iteratee = cb(iteratee, context); + each(obj, function(v, index, list) { + computed = iteratee(v, index, list); + if (computed > lastComputed || computed === -Infinity && result === -Infinity) { + result = v; + lastComputed = computed; + } + }); + } + return result; + } + + // Return the minimum element (or element-based computation). + function min(obj, iteratee, context) { + var result = Infinity, lastComputed = Infinity, + value, computed; + if (iteratee == null || typeof iteratee == 'number' && typeof obj[0] != 'object' && obj != null) { + obj = isArrayLike(obj) ? obj : values(obj); + for (var i = 0, length = obj.length; i < length; i++) { + value = obj[i]; + if (value != null && value < result) { + result = value; + } + } + } else { + iteratee = cb(iteratee, context); + each(obj, function(v, index, list) { + computed = iteratee(v, index, list); + if (computed < lastComputed || computed === Infinity && result === Infinity) { + result = v; + lastComputed = computed; + } + }); + } + return result; + } + + // Sample **n** random values from a collection using the modern version of the + // [Fisher-Yates shuffle](https://en.wikipedia.org/wiki/Fisher–Yates_shuffle). + // If **n** is not specified, returns a single random element. + // The internal `guard` argument allows it to work with `_.map`. + function sample(obj, n, guard) { + if (n == null || guard) { + if (!isArrayLike(obj)) obj = values(obj); + return obj[random(obj.length - 1)]; + } + var sample = isArrayLike(obj) ? clone(obj) : values(obj); + var length = getLength(sample); + n = Math.max(Math.min(n, length), 0); + var last = length - 1; + for (var index = 0; index < n; index++) { + var rand = random(index, last); + var temp = sample[index]; + sample[index] = sample[rand]; + sample[rand] = temp; + } + return sample.slice(0, n); + } + + // Shuffle a collection. + function shuffle(obj) { + return sample(obj, Infinity); + } + + // Sort the object's values by a criterion produced by an iteratee. + function sortBy(obj, iteratee, context) { + var index = 0; + iteratee = cb(iteratee, context); + return pluck(map(obj, function(value, key, list) { + return { + value: value, + index: index++, + criteria: iteratee(value, key, list) + }; + }).sort(function(left, right) { + var a = left.criteria; + var b = right.criteria; + if (a !== b) { + if (a > b || a === void 0) return 1; + if (a < b || b === void 0) return -1; + } + return left.index - right.index; + }), 'value'); + } + + // An internal function used for aggregate "group by" operations. + function group(behavior, partition) { + return function(obj, iteratee, context) { + var result = partition ? [[], []] : {}; + iteratee = cb(iteratee, context); + each(obj, function(value, index) { + var key = iteratee(value, index, obj); + behavior(result, value, key); + }); + return result; + }; + } + + // Groups the object's values by a criterion. Pass either a string attribute + // to group by, or a function that returns the criterion. + var groupBy = group(function(result, value, key) { + if (has$1(result, key)) result[key].push(value); else result[key] = [value]; + }); + + // Indexes the object's values by a criterion, similar to `_.groupBy`, but for + // when you know that your index values will be unique. + var indexBy = group(function(result, value, key) { + result[key] = value; + }); + + // Counts instances of an object that group by a certain criterion. Pass + // either a string attribute to count by, or a function that returns the + // criterion. + var countBy = group(function(result, value, key) { + if (has$1(result, key)) result[key]++; else result[key] = 1; + }); + + // Split a collection into two arrays: one whose elements all pass the given + // truth test, and one whose elements all do not pass the truth test. + var partition = group(function(result, value, pass) { + result[pass ? 0 : 1].push(value); + }, true); + + // Safely create a real, live array from anything iterable. + var reStrSymbol = /[^\ud800-\udfff]|[\ud800-\udbff][\udc00-\udfff]|[\ud800-\udfff]/g; + function toArray(obj) { + if (!obj) return []; + if (isArray(obj)) return slice.call(obj); + if (isString(obj)) { + // Keep surrogate pair characters together. + return obj.match(reStrSymbol); + } + if (isArrayLike(obj)) return map(obj, identity); + return values(obj); + } + + // Return the number of elements in a collection. + function size(obj) { + if (obj == null) return 0; + return isArrayLike(obj) ? obj.length : keys(obj).length; + } + + // Internal `_.pick` helper function to determine whether `key` is an enumerable + // property name of `obj`. + function keyInObj(value, key, obj) { + return key in obj; + } + + // Return a copy of the object only containing the allowed properties. + var pick = restArguments(function(obj, keys) { + var result = {}, iteratee = keys[0]; + if (obj == null) return result; + if (isFunction$1(iteratee)) { + if (keys.length > 1) iteratee = optimizeCb(iteratee, keys[1]); + keys = allKeys(obj); + } else { + iteratee = keyInObj; + keys = flatten$1(keys, false, false); + obj = Object(obj); + } + for (var i = 0, length = keys.length; i < length; i++) { + var key = keys[i]; + var value = obj[key]; + if (iteratee(value, key, obj)) result[key] = value; + } + return result; + }); + + // Return a copy of the object without the disallowed properties. + var omit = restArguments(function(obj, keys) { + var iteratee = keys[0], context; + if (isFunction$1(iteratee)) { + iteratee = negate(iteratee); + if (keys.length > 1) context = keys[1]; + } else { + keys = map(flatten$1(keys, false, false), String); + iteratee = function(value, key) { + return !contains(keys, key); + }; + } + return pick(obj, iteratee, context); + }); + + // Returns everything but the last entry of the array. Especially useful on + // the arguments object. Passing **n** will return all the values in + // the array, excluding the last N. + function initial(array, n, guard) { + return slice.call(array, 0, Math.max(0, array.length - (n == null || guard ? 1 : n))); + } + + // Get the first element of an array. Passing **n** will return the first N + // values in the array. The **guard** check allows it to work with `_.map`. + function first(array, n, guard) { + if (array == null || array.length < 1) return n == null || guard ? void 0 : []; + if (n == null || guard) return array[0]; + return initial(array, array.length - n); + } + + // Returns everything but the first entry of the `array`. Especially useful on + // the `arguments` object. Passing an **n** will return the rest N values in the + // `array`. + function rest(array, n, guard) { + return slice.call(array, n == null || guard ? 1 : n); + } + + // Get the last element of an array. Passing **n** will return the last N + // values in the array. + function last(array, n, guard) { + if (array == null || array.length < 1) return n == null || guard ? void 0 : []; + if (n == null || guard) return array[array.length - 1]; + return rest(array, Math.max(0, array.length - n)); + } + + // Trim out all falsy values from an array. + function compact(array) { + return filter(array, Boolean); + } + + // Flatten out an array, either recursively (by default), or up to `depth`. + // Passing `true` or `false` as `depth` means `1` or `Infinity`, respectively. + function flatten(array, depth) { + return flatten$1(array, depth, false); + } + + // Take the difference between one array and a number of other arrays. + // Only the elements present in just the first array will remain. + var difference = restArguments(function(array, rest) { + rest = flatten$1(rest, true, true); + return filter(array, function(value){ + return !contains(rest, value); + }); + }); + + // Return a version of the array that does not contain the specified value(s). + var without = restArguments(function(array, otherArrays) { + return difference(array, otherArrays); + }); + + // Produce a duplicate-free version of the array. If the array has already + // been sorted, you have the option of using a faster algorithm. + // The faster algorithm will not work with an iteratee if the iteratee + // is not a one-to-one function, so providing an iteratee will disable + // the faster algorithm. + function uniq(array, isSorted, iteratee, context) { + if (!isBoolean(isSorted)) { + context = iteratee; + iteratee = isSorted; + isSorted = false; + } + if (iteratee != null) iteratee = cb(iteratee, context); + var result = []; + var seen = []; + for (var i = 0, length = getLength(array); i < length; i++) { + var value = array[i], + computed = iteratee ? iteratee(value, i, array) : value; + if (isSorted && !iteratee) { + if (!i || seen !== computed) result.push(value); + seen = computed; + } else if (iteratee) { + if (!contains(seen, computed)) { + seen.push(computed); + result.push(value); + } + } else if (!contains(result, value)) { + result.push(value); + } + } + return result; + } + + // Produce an array that contains the union: each distinct element from all of + // the passed-in arrays. + var union = restArguments(function(arrays) { + return uniq(flatten$1(arrays, true, true)); + }); + + // Produce an array that contains every item shared between all the + // passed-in arrays. + function intersection(array) { + var result = []; + var argsLength = arguments.length; + for (var i = 0, length = getLength(array); i < length; i++) { + var item = array[i]; + if (contains(result, item)) continue; + var j; + for (j = 1; j < argsLength; j++) { + if (!contains(arguments[j], item)) break; + } + if (j === argsLength) result.push(item); + } + return result; + } + + // Complement of zip. Unzip accepts an array of arrays and groups + // each array's elements on shared indices. + function unzip(array) { + var length = array && max(array, getLength).length || 0; + var result = Array(length); + + for (var index = 0; index < length; index++) { + result[index] = pluck(array, index); + } + return result; + } + + // Zip together multiple lists into a single array -- elements that share + // an index go together. + var zip = restArguments(unzip); + + // Converts lists into objects. Pass either a single array of `[key, value]` + // pairs, or two parallel arrays of the same length -- one of keys, and one of + // the corresponding values. Passing by pairs is the reverse of `_.pairs`. + function object(list, values) { + var result = {}; + for (var i = 0, length = getLength(list); i < length; i++) { + if (values) { + result[list[i]] = values[i]; + } else { + result[list[i][0]] = list[i][1]; + } + } + return result; + } + + // Generate an integer Array containing an arithmetic progression. A port of + // the native Python `range()` function. See + // [the Python documentation](https://docs.python.org/library/functions.html#range). + function range(start, stop, step) { + if (stop == null) { + stop = start || 0; + start = 0; + } + if (!step) { + step = stop < start ? -1 : 1; + } + + var length = Math.max(Math.ceil((stop - start) / step), 0); + var range = Array(length); + + for (var idx = 0; idx < length; idx++, start += step) { + range[idx] = start; + } + + return range; + } + + // Chunk a single array into multiple arrays, each containing `count` or fewer + // items. + function chunk(array, count) { + if (count == null || count < 1) return []; + var result = []; + var i = 0, length = array.length; + while (i < length) { + result.push(slice.call(array, i, i += count)); + } + return result; + } + + // Helper function to continue chaining intermediate results. + function chainResult(instance, obj) { + return instance._chain ? _$1(obj).chain() : obj; + } + + // Add your own custom functions to the Underscore object. + function mixin(obj) { + each(functions(obj), function(name) { + var func = _$1[name] = obj[name]; + _$1.prototype[name] = function() { + var args = [this._wrapped]; + push.apply(args, arguments); + return chainResult(this, func.apply(_$1, args)); + }; + }); + return _$1; + } + + // Add all mutator `Array` functions to the wrapper. + each(['pop', 'push', 'reverse', 'shift', 'sort', 'splice', 'unshift'], function(name) { + var method = ArrayProto[name]; + _$1.prototype[name] = function() { + var obj = this._wrapped; + if (obj != null) { + method.apply(obj, arguments); + if ((name === 'shift' || name === 'splice') && obj.length === 0) { + delete obj[0]; + } + } + return chainResult(this, obj); + }; + }); + + // Add all accessor `Array` functions to the wrapper. + each(['concat', 'join', 'slice'], function(name) { + var method = ArrayProto[name]; + _$1.prototype[name] = function() { + var obj = this._wrapped; + if (obj != null) obj = method.apply(obj, arguments); + return chainResult(this, obj); + }; + }); + + // Named Exports + + var allExports = { + __proto__: null, + VERSION: VERSION, + restArguments: restArguments, + isObject: isObject, + isNull: isNull, + isUndefined: isUndefined, + isBoolean: isBoolean, + isElement: isElement, + isString: isString, + isNumber: isNumber, + isDate: isDate, + isRegExp: isRegExp, + isError: isError, + isSymbol: isSymbol, + isArrayBuffer: isArrayBuffer, + isDataView: isDataView$1, + isArray: isArray, + isFunction: isFunction$1, + isArguments: isArguments$1, + isFinite: isFinite$1, + isNaN: isNaN$1, + isTypedArray: isTypedArray$1, + isEmpty: isEmpty, + isMatch: isMatch, + isEqual: isEqual, + isMap: isMap, + isWeakMap: isWeakMap, + isSet: isSet, + isWeakSet: isWeakSet, + keys: keys, + allKeys: allKeys, + values: values, + pairs: pairs, + invert: invert, + functions: functions, + methods: functions, + extend: extend, + extendOwn: extendOwn, + assign: extendOwn, + defaults: defaults, + create: create, + clone: clone, + tap: tap, + get: get, + has: has, + mapObject: mapObject, + identity: identity, + constant: constant, + noop: noop, + toPath: toPath$1, + property: property, + propertyOf: propertyOf, + matcher: matcher, + matches: matcher, + times: times, + random: random, + now: now, + escape: _escape, + unescape: _unescape, + templateSettings: templateSettings, + template: template, + result: result, + uniqueId: uniqueId, + chain: chain, + iteratee: iteratee, + partial: partial, + bind: bind, + bindAll: bindAll, + memoize: memoize, + delay: delay, + defer: defer, + throttle: throttle, + debounce: debounce, + wrap: wrap, + negate: negate, + compose: compose, + after: after, + before: before, + once: once, + findKey: findKey, + findIndex: findIndex, + findLastIndex: findLastIndex, + sortedIndex: sortedIndex, + indexOf: indexOf, + lastIndexOf: lastIndexOf, + find: find, + detect: find, + findWhere: findWhere, + each: each, + forEach: each, + map: map, + collect: map, + reduce: reduce, + foldl: reduce, + inject: reduce, + reduceRight: reduceRight, + foldr: reduceRight, + filter: filter, + select: filter, + reject: reject, + every: every, + all: every, + some: some, + any: some, + contains: contains, + includes: contains, + include: contains, + invoke: invoke, + pluck: pluck, + where: where, + max: max, + min: min, + shuffle: shuffle, + sample: sample, + sortBy: sortBy, + groupBy: groupBy, + indexBy: indexBy, + countBy: countBy, + partition: partition, + toArray: toArray, + size: size, + pick: pick, + omit: omit, + first: first, + head: first, + take: first, + initial: initial, + last: last, + rest: rest, + tail: rest, + drop: rest, + compact: compact, + flatten: flatten, + without: without, + uniq: uniq, + unique: uniq, + union: union, + intersection: intersection, + difference: difference, + unzip: unzip, + transpose: unzip, + zip: zip, + object: object, + range: range, + chunk: chunk, + mixin: mixin, + 'default': _$1 + }; + + // Default Export + + // Add all of the Underscore functions to the wrapper object. + var _ = mixin(allExports); + // Legacy Node.js API. + _._ = _; + + return _; + +}))); +//# sourceMappingURL=underscore-umd.js.map diff --git a/docs/_static/underscore.js b/docs/_static/underscore.js index 166240e..cf177d4 100644 --- a/docs/_static/underscore.js +++ b/docs/_static/underscore.js @@ -1,6 +1,6 @@ -!function(n,r){"object"==typeof exports&&"undefined"!=typeof module?module.exports=r():"function"==typeof define&&define.amd?define("underscore",r):(n=n||self,function(){var t=n._,e=n._=r();e.noConflict=function(){return n._=t,e}}())}(this,(function(){ -// Underscore.js 1.12.0 +!function(n,r){"object"==typeof exports&&"undefined"!=typeof module?module.exports=r():"function"==typeof define&&define.amd?define("underscore",r):(n="undefined"!=typeof globalThis?globalThis:n||self,function(){var t=n._,e=n._=r();e.noConflict=function(){return n._=t,e}}())}(this,(function(){ +// Underscore.js 1.13.1 // https://underscorejs.org -// (c) 2009-2020 Jeremy Ashkenas, DocumentCloud 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mr(n,Dn(r))},each:jr,forEach:jr,map:_r,collect:_r,reduce:Ar,foldl:Ar,inject:Ar,reduceRight:xr,foldr:xr,filter:Sr,select:Sr,reject:function(n,r,t){return Sr(n,fr(qn(r)),t)},every:Or,all:Or,some:Mr,any:Mr,contains:Er,includes:Er,include:Er,invoke:Br,pluck:Nr,where:function(n,r){return Sr(n,Dn(r))},max:Ir,min:function(n,r,t){var e,u,o=1/0,i=1/0;if(null==r||"number"==typeof r&&"object"!=typeof n[0]&&null!=n)for(var a=0,f=(n=er(n)?n:jn(n)).length;ae||void 0===t)return 1;if(t - - krTheme Sphinx Style — pymatgen-db 2021.5.13 documentation - - - + + + krTheme Sphinx Style — pymatgen-db 2021.5.28 documentation + + + @@ -37,7 +38,7 @@

    Navigation

  • modules |
    • -
  • pymatgen-db 2021.5.13 documentation »
    • +
  • pymatgen-db 2021.5.28 documentation »
  • krTheme Sphinx Style
    • @@ -47,7 +48,7 @@

    Navigation

    -
    +

    krTheme Sphinx Style

    This repository contains sphinx styles Kenneth Reitz uses in most of his projects. It is a drivative of Mitsuhiko’s themes for Flask and Flask related @@ -71,7 +72,7 @@

    krTheme Sphinx Stylekr_small

    small one-page theme. Intended to be used by very small addon libraries.

    -

    +
    diff --git a/docs/builders.html b/docs/builders.html index 3e3b1f8..c6fc530 100644 --- a/docs/builders.html +++ b/docs/builders.html @@ -4,11 +4,12 @@ - - Database “Builders” — pymatgen-db 2021.5.13 documentation - - - + + + Database “Builders” — pymatgen-db 2021.5.28 documentation + + + @@ -45,7 +46,7 @@

    Navigation

  • previous |
    • -
  • pymatgen-db 2021.5.13 documentation »
    • +
  • pymatgen-db 2021.5.28 documentation »
  • Database “Builders”
    • @@ -55,7 +56,7 @@

    Navigation

    -
    +

    Database “Builders”

    The Materials Project relies on MongoDB databases. The common parts of the process of creating these databases from either files or other MongoDB databases @@ -96,9 +97,9 @@

    Navigation

    -
    +

    Features

    -
    +

    Parallel building

    Builders can be run in parallel without explicit coding of parallelism by the author. This allows CPU-intensive transformations of the data to run @@ -112,17 +113,17 @@

    Parallel buildingget_items()).

    -

    -
    +
    +

    Incremental building

    Incremental building allows successive builds of source MongoDB collection(s) to only operate on the records added since the last build. This can save huge amounts of time. An illustration of the difference between an incremental and full (non-incremental) build is shown below.

    _images/incremental_build.png -
    -
    -
    + + +

    Writing a builder

    To write a builder, you must create a Python class that inherits from pymatgen.db.builders.core.Builder @@ -132,7 +133,7 @@

    Incremental buildingFileCounter builder that just counts the lines in a file, and a CopyBuilder that copies a MongoDB collection.

    -
    +

    Simple “FileCounter” builder

    The first builder simply reads from a file, and counts the lines in that file. In this section we’ll show the whole program, then walk through it one section @@ -232,8 +233,8 @@

    Incremental buildingFalse.

    Note that this builder did not access MongoDB in any way. The next example will show MongoDB access and other features.

    -

    -
    +

    +

    Database “CopyBuilder”

    The next builder does a simple DB operation: copying one MongoDB collection from a source to a destination. As before, we begin with the full program @@ -347,8 +348,8 @@

    Incremental building

    Incremental builder “MaxValueBuilder”

    The incremental building concept was introduced in Features. The central idea of the incremental building implementation is that any builder @@ -511,9 +512,9 @@

    Incremental building +

    + +

    Running a builder

    This section describes how, once you have written a builder class, you can use mgbuild to run @@ -531,7 +532,7 @@

    Incremental buildingpymatgen.db.builders.examples.

    -
    +

    Displaying builder usage

    You can get the list of parameters and their types for a given builder by giving its full module path, and the -u or --usage option:

    @@ -551,8 +552,8 @@

    Incremental building +

    +

    Running the builder

    The usage of the mgbuild run command is as follows:

    usage: mgbuild run [-h] [--quiet] [--verbose] [-i OPER[:FIELD]] [-n NUM_CORES]
@@ -585,7 +586,7 @@ 
    Incremental building
+
    
 
    Basic usage
    
 
    Run the copy builder:
    
 
    mgbuild run  pymatgen.db.builders.examples.copy_builder.CopyBuilder \
@@ -602,8 +603,8 @@ 
    Basic usageDatabase configuration for more details.
    
-
    
-
    
+
    
+
    
 
    Running in parallel
    
 
    Most machines have multiple cores, and hundreds of cores will be common
 in the near future. If your item processing requires any
@@ -619,8 +620,8 @@ 
    Running in parallelprocess_item() method is run in parallel.
 The get_items() is always run sequentially.
    -
    -
    +
    +

    Incremental builds

    The concept of incremental building was introduced in Incremental builder “MaxValueBuilder”. From the command-line, incremental building is controlled by the -i/--incr option. @@ -673,10 +674,10 @@

    Incremental builds

    diff --git a/docs/change_log.html b/docs/change_log.html index 9be503b..6dd5fc9 100644 --- a/docs/change_log.html +++ b/docs/change_log.html @@ -4,11 +4,12 @@ - - v0.7.0 — pymatgen-db 2021.5.13 documentation - - - + + + v0.7.0 — pymatgen-db 2021.5.28 documentation + + + @@ -37,7 +38,7 @@

    Navigation

  • modules |
    • -
  • pymatgen-db 2021.5.13 documentation »
    • +
  • pymatgen-db 2021.5.28 documentation »
  • v0.7.0

    • @@ -47,51 +48,51 @@

    Navigation

    -
    +

    v0.7.0

    • Fix deprecation.

    • Ensure oxide types are handled properly in creating docs and querying for them.

    -
    -
    + +

    v0.6.2

    • Minor bug fixes.

    -
    -
    + +

    v0.6.1

    • Removed Materials Genomics UI. Pls use Flamyngo as an alternative.

    -
    -
    + +

    v0.6.5

    1. Proper specification of requirements.

    -
    -
    + +

    v0.6.2

    1. Update dependency versions.

    -
    -
    + +

    v0.5.0

    • Updated scripts for new MongoClient.

    -
    -
    + +

    v0.4.8

    • Update pymatgen vand other dependencies.

    -
    -
    + +

    v0.4.1

    1. Refactor of builders (mgbuild and matgendb.builders) to @@ -100,8 +101,8 @@

      v0.4.1 +

    +

    v0.4.0

    New mgvv diff features.

      @@ -110,41 +111,41 @@

      v0.4.0 +

    +

    v0.3.9

    1. mgvv diff HTML output can make they key field into a hyperlink using a user-provided prefix

    2. Added brief introduction to mgvv in front page of Sphinx docs

    -
    -
    + +

    v0.3.8

    1. mgvv diff can perform numeric diffs. Better error handling.

    -
    -
    + +

    v0.3.7

    1. New package maintainer, Dan Gunter <dkgunter@lbl.gov>

    2. Added vv.diff package and associated mgvv diff subcommand, for taking the difference of two arbitrary MongoDB collections.

    3. Some cleanup and simplification of config files. user and password are accepted as aliases for readonly_user and readonly_password.

    -
    -
    + +

    v0.3.4

    1. MAPI_KEY is now a db config file variable.

    -
    -
    + +

    v0.3.3

    1. Minor bug fix release.

    -
    -
    + +

    v0.3.2

    1. Add option to use the Materials API to obtain stability data during run @@ -153,15 +154,15 @@

      v0.3.2 +

    +

    v0.3.0

    1. Significant update to materials genomics ui. Ability to export table data to CSV, XLS or PDF.

    2. First vof RESTful interface implemented.

    -
    +
    diff --git a/docs/dbconfig.html b/docs/dbconfig.html index bdc9df1..2b9e0b6 100644 --- a/docs/dbconfig.html +++ b/docs/dbconfig.html @@ -4,11 +4,12 @@ - - Database configuration — pymatgen-db 2021.5.13 documentation - - - + + + Database configuration — pymatgen-db 2021.5.28 documentation + + + @@ -45,7 +46,7 @@

    Navigation

  • previous |
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    • +
  • pymatgen-db 2021.5.28 documentation »
  • Database configuration
    • @@ -55,7 +56,7 @@

    Navigation

    -
    +

    Database configuration

    All the pymatgen-db database configuration files use JSON syntax. They give the server host and port, as well as authentication parameters @@ -89,7 +90,7 @@

    Navigation

    admin_password

    Authentication password, for read/write access.

    -
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index efbc8b0fcc105d6615192f9b3dc9c0b43e2db042..f3aef70692901f9350c94aae0570fdd3863a67dd 100644 GIT binary patch delta 544 zcmZvZ%SyvQ6o#4fegSL2Y_ye9rPkiGJ2zDjL?{Ma)Rm>A>5!9}CN;?{y3qOn*_0W< zS8(MbkKjXe<-#Y>M{r_Mo8scYF#P{H-+zuLzKh|9$m7*4JWsoc-oRAI2pbNYz1?QE zAOt!0u+g!xWjE|GmC-)RQx~;cP1uA3_!dZzmq=fR?K`#yg)W04uU%dxUga($P=Pfr zuPx+Ig*@F5TH^nDstL#Fl0FNNtH3Gbe0e*@?I*z*v>p;Q delta 527 zcmZvZ%}T>S6or}eCtAgVNE~+GbknUwk*b*=^bIww@u$8q<-UJ$01&X(`!%W*9x2D&t|wpS=Yhl zHSQBCMt@vS+vk)1Op1cQEl*Rlb91~^Cm3SCPprCyhlC0=`Ni^aW}}q?WoAH9I@@fJ zFi&mf2^eVNl<{fy6QQU0Ab*6A#!Y#Lzshg?L004Eg%;9WuwVc^7A__({J;_6l8 i7#IvH$=ebsdQgj33OZUZToKduus^V^$Vfb~?*13^$+H9i diff --git a/docs/genindex.html b/docs/genindex.html index 0bd0086..7be9b75 100644 --- a/docs/genindex.html +++ b/docs/genindex.html @@ -5,10 +5,10 @@ - Index — pymatgen-db 2021.5.13 documentation - - - + Index — pymatgen-db 2021.5.28 documentation + + + @@ -37,7 +37,7 @@

    Navigation

     -
  • pymatgen-db 2021.5.13 documentation »
    • +
  • pymatgen-db 2021.5.28 documentation »
  • Index
  • modules |

    • @@ -461,7 +461,7 @@

    B

      +
    • is_empty (Sampler property) +
    • is_empty() (Report method) - -
    • IS_LIST (Schema attribute)
    • IS_SCALAR (Schema attribute) @@ -859,7 +857,7 @@

      J

      • JsonWalker (class in pymatgen.db.vv.util)
        • -
      • jstype() (Scalar property) +
      • jstype (Scalar property)
      • JSTYPES (Scalar attribute)
        • @@ -1078,7 +1076,7 @@

        M

        N

          -
        • ncol() (Table property) +
        • ncol (Table property)
        • NEW (Differ attribute)
          • @@ -1092,7 +1090,7 @@

          N

        • NoTrackingCollection
          • -
        • nrow() (Table property) +
        • nrow (Table property)
        • NullConstraintViolation (class in pymatgen.db.vv.validate)
          • @@ -1104,7 +1102,7 @@

          N

          O

          @@ -51,14 +52,14 @@

          Navigation

          -
          +

          Pymatgen-db

          Pymatgen-db is a database add-on for the Python Materials Genomics (pymatgen) materials analysis library. It enables the creation of Materials Project-style MongoDB databases for management of materials data. A query engine is also provided to enable the easy translation of MongoDB docs to useful pymatgen objects for analysis purposes.

          -
          +

          Other pages

          -
          -
          -
          + + +

          Change Log

          Change log

          -
          -
          + +

          Getting pymatgen-db

          -
          +

          Stable version

          The version at the Python Package Index (PyPI) is always the latest stable release that will be hopefully, be relatively bug-free. The easiest way to @@ -88,8 +89,8 @@

          Stable version
          pip install pymatgen-db

          -
          -
          + +

          Developmental version

          The bleeding edge developmental version is at the pymatgen-db’s Github repo. The developmental version is likely to be more buggy, but may contain new @@ -102,9 +103,9 @@

          Developmental version
          python setup.py develop

          -
          -
          -
          + + +

          Requirements

          All required python dependencies should be automatically taken care of if you install pymatgen-db using easy_install or pip. Otherwise, these packages should @@ -118,8 +119,8 @@

          RequirementsMongoDB website.

          -

          -
          + +

          Usage

          A powerful command-line script (mgdb) provides most of the access to many of the features in pymatgen-db, including db initialization, insertion of data, @@ -129,7 +130,7 @@

          Usage

          Validation and derived-database creation each use their own scripts, which are called mgvv and mgbuild, respectively.

          -
          +

          Initial setup

          The first step is to install and setup MongoDB on a server of your choice. The MongoDB manual is an excellent place to start. For the purposes of @@ -162,8 +163,8 @@

          Initial setupsample.

          -

          -
          + +

          Inserting calculations

          To insert an entire directory of runs (where the topmost directory is “dir_name”) into the database, use the following command:

          @@ -175,8 +176,8 @@

          Inserting calculations

          A sample run has been provided for download for testing purposes. Unzip the file and run the above command in the directory.

          -

          -
          + +

          Querying a database

          Sometimes, more fine-grained querying is needed (e.g., for subsequent postprocessing and analysis).

          @@ -213,8 +214,8 @@

          Querying a database +

          +

          Extending pymatgen-db

          Currently, pymatgen-db is written with standard VASP runs in mind. However, it is perfectly extensible to any kind of data, e.g., other kinds of VASP runs @@ -224,16 +225,16 @@

          Extending pymatgen-dbpymatgen.db.query_engine.QueryEngine can generally be applied to any Mongo collection, with suitable specification of aliases if desired.

          -

          - -
          + + +

          API/Reference Docs

          The API docs are generated using Sphinx auto-doc and outlines the purpose of all modules and classes, and the expected argument and returned objects for most methods. They are available at the link below.

          pymatgen-db API docs

          -
          -
          + +

          How to cite pymatgen-db

          If you use pymatgen and pymatgen-db in your research, please consider citing the following work:

          @@ -244,8 +245,8 @@

          How to cite pymatgen-db Computational Materials Science, 2013, 68, 314-319. doi:10.1016/j.commatsci.2012.10.028

          - -
          + +

          License

          Pymatgen-db is released under the MIT License. The terms of the license are as follows:

          @@ -271,15 +272,15 @@

          LicenseDEALINGS IN THE SOFTWARE.

          - - +
          diff --git a/docs/mgvv.html b/docs/mgvv.html index 82979f1..761407d 100644 --- a/docs/mgvv.html +++ b/docs/mgvv.html @@ -4,11 +4,12 @@ - - Materials Project Database Validation: mgvv — pymatgen-db 2021.5.13 documentation - - - + + + Materials Project Database Validation: mgvv — pymatgen-db 2021.5.28 documentation + + + @@ -45,7 +46,7 @@

          Navigation

        • previous |
          • -
        • pymatgen-db 2021.5.13 documentation »
          • +
        • pymatgen-db 2021.5.28 documentation »
        • Materials Project Database Validation: mgvv
          • @@ -55,19 +56,19 @@

          Navigation

          -
          +

          Materials Project Database Validation: mgvv

          The command-line program, mgvv, is used to validate MongoDB databases. This command has two sub-commands:

          1. mgvv validate - Filter records on a set of criteria (conjunction) and apply a set of constraints.

          2. mgvv diff - Look at the “diff” of any two collections, for identifiers that are missing from one or the other, or for mis-matching values for identifiers that are the same.

          -
          +

          mgvv validate subcommand

          Database connections are configured from a file, exactly as for mgdb/ The patterns to validate against can come from a file or the command-line.

          -
          -
          +
          +

          Arguments

          Constraints can be provided on the command line. The syntax of each constraint is given in Constraint syntax. @@ -81,32 +82,32 @@

          Arguments +

          +

          Options

          -
          ---help, -h
          +
          +--help, -h

          show help message and exit

          -
          ---alias, -a
          +
          +--alias, -a

          Value is an alias for a field used in a constraint or condition, in form alias=name_in_db. This option is repeatable to allow multiple aliases.

          -
          ---collection, -C <name>
          +
          +--collection, -C <name>

          Name of collection on which to operate.

          -
          ---email, -e <file or spec>
          +
          +--email, -e <file or spec>

          Email a report. @@ -123,22 +124,22 @@

          Optionsemail-config for an example of the configuration file syntax, which unlike the command-line syntax allows for multiple recipients.

          -
          --f <file>, --file <file>
          +
          +-f <file>, --file <file>

          Main configuration file. Has constraints, and optionally email configuration (see –email option).

          -
          ---limit <num>, -m <num>
          +
          +--limit <num>, -m <num>

          In output, limit number of displayed validation errors, per collection, to num. The default is 50. To show as many errors as you can find, use 0.

          -
          ---format <type>, -F <type>
          +
          +--format <type>, -F <type>

          Use the specified report type to format and send the validation output. @@ -154,29 +155,29 @@

          Options -
          --c <file>, --config <file>
          +
          +-c <file>, --config <file>

          Configuration file for database connection. Generate one using mgdb init –config filename.json, if necessary. Otherwise, the code searches for a db.json. If none is found, a no-authentication localhost:27017/vasp database is assumed.

          -
          --v, --verbose
          +
          +-v, --verbose

          Increase log message verbosity. Repeatable. Messages are logged to standard error.

          -

          -
          + +

          Configuration files

          You can use up to two configuration files: one for constraints (and aliases), one for the database, and one for the constraints and email.

          -
          +

          Database configuration

          The database connection uses the same format as the mgdb command for its configuration file. The readonly_user is preferred over the administrative user, if both are present.

          -
          -
          +
          +

          Email configuration

          Reports can be sent by email. This can be configured on the command-line, or within the main configuration file.

          @@ -202,8 +203,8 @@

          Options +

          +

          Constraint configuration

          The constraints are configured from a YAML file.

          At the top level are keys, which are the names of the collection @@ -265,13 +266,13 @@

          Options +

          + +

          Constraint syntax

          The constraint syntax is taken from the smoqe package.

          -
          -
          + +

          mgvv diff subcommand

          The diff sub-command takes options and two DB configurations:

          mgvv diff [options..] old.json new.json
@@ -282,8 +283,8 @@ 
          Optionsexamples at the end of this section for full usage examples.
          
-
          -
          +
          +

          Arguments

          Two positional arguments are required, to set the two collections. These are called the old and new collections, respectively. Both @@ -307,46 +308,46 @@

          Arguments}

          -
          -
          + +

          Options

          usage: mgvv diff [-h] [–verbose] [-D CONFIG] [-E ADDR] [-f FILE] [-F FORMAT] [-s HOST] [-i INFO] [-k KEY] [-m] [-n EXPR] [-p PROPERTIES] [-P] [-q EXPR] [-u URL] [-V] old new

          -
          ---help, -h
          +
          +--help, -h

          show help message and exit

          -
          --v, --verbose
          +
          +-v, --verbose

          Increase log message verbosity. Repeatable. Messages are logged to standard error.

          -
          --D CONFIG, --db CONFIG
          +
          +-D CONFIG, --db CONFIG

          Insert a JSON record of the report in the MongoDB collection pointed to by CONFIG, which is a standard pymatgen-db JSON configuration file. Note that the target database and collection must be writable.

          -
          --E ADDR, --email ADDR
          +
          +-E ADDR, --email ADDR

          Email report to one or more email addresses. ADDR is a list of the form: ‘sender/receiver,[receiver2...][/subject]’.

          -
          --s HOST, --email-server HOST
          +
          +-s HOST, --email-server HOST

          Server HOST for an email report, in form hostname[:port]. Default is localhost

          -
          --f FILE, --file FILE
          +
          +-f FILE, --file FILE

          Read options from FILE instead of command line. File format is YAML (or JSON, @@ -366,32 +367,32 @@

          Options

          -
          --F FORMAT, --format FORMAT
          +
          +-F FORMAT, --format FORMAT

          Default report format: ‘text’, ‘html’, or ‘json’. If not given, the format will be determined by the output: text for console, html for email.

          -
          --i INFO, --info INFO
          +
          +-i INFO, --info INFO

          Extra fields for records, as comma-separated list, e.g ‘extra,fields,to_include’.

          -
          --k KEY, --key KEY
          +
          +-k KEY, --key KEY

          Key for matching records.

          -
          --m, --missing
          +
          +-m, --missing

          Only report keys that are in the ‘old’ collection, but not in the ‘new’ collection.

          -
          --n, --numeric
          +
          +-n, --numeric

          Fields with numeric values that must match, with a tolerance, as a comma-separated list, e.g., @@ -456,20 +457,20 @@

          Options

          This option may be combined with any of the other options.

          -
          --p PROPS, --properties PROPS
          +
          +-p PROPS, --properties PROPS

          Fields with properties that must match, as comma-separated list , e.g ‘these_must,match’.

          -
          --P, --print
          +
          +-P, --print

          Print report to the console.

          -
          --q EXPR, --query EXPR
          +
          +-q EXPR, --query EXPR

          Query to filter records before key and value tests. @@ -478,8 +479,8 @@

          Options
          -
          --u URL, --url URL
          +
          +-u URL, --url URL

          In HTML reports, make the key into a hyperlink by prefixing with URL. @@ -492,8 +493,8 @@

          Options Only report changes in values, not missing or added keys. - -
          + +

          Examples

          Let’s say you want to compare the ‘materials’ collection in a development and production database. You could have two JSON configuration files, prod.json and dev.json that specified the servers, @@ -550,8 +551,8 @@

          Options - pretty_formula

          - - + +
          diff --git a/docs/modules.html b/docs/modules.html index 5a425d3..147063f 100644 --- a/docs/modules.html +++ b/docs/modules.html @@ -4,11 +4,12 @@ - - pymatgen — pymatgen-db 2021.5.13 documentation - - - + + + pymatgen — pymatgen-db 2021.5.28 documentation + + + @@ -37,7 +38,7 @@

          Navigation

        • modules |
          • -
        • pymatgen-db 2021.5.13 documentation »
          • +
        • pymatgen-db 2021.5.28 documentation »
        • pymatgen
          • @@ -47,7 +48,7 @@

          Navigation

          -
          +

          pymatgen

            @@ -99,7 +100,7 @@

            pymatgen

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          Navigation

        • modules |
          • -
        • pymatgen-db 2021.5.13 documentation »
          • +
        • pymatgen-db 2021.5.28 documentation »
        • Python Module Index
          • diff --git a/docs/pymatgen.db.alchemy.html b/docs/pymatgen.db.alchemy.html index 1be8ccf..03e8ffc 100644 --- a/docs/pymatgen.db.alchemy.html +++ b/docs/pymatgen.db.alchemy.html @@ -4,11 +4,12 @@ - - pymatgen.db.alchemy package — pymatgen-db 2021.5.13 documentation - - - + + + pymatgen.db.alchemy package — pymatgen-db 2021.5.28 documentation + + + @@ -45,7 +46,7 @@

          Navigation

        • previous |
          • -
        • pymatgen-db 2021.5.13 documentation »
          • +
        • pymatgen-db 2021.5.28 documentation »
        • pymatgen.db package »
        • pymatgen.db.alchemy package
          • @@ -56,24 +57,24 @@

          Navigation

          -
          +

          pymatgen.db.alchemy package

          -
          +

          Subpackages

          -
          -
          +
          +

          Submodules

          -
          -
          + +

          pymatgen.db.alchemy.transmuters module

          This module implements a version of pymatgen’s Transmuter to generate TransformedStructures from DB data sources. They enable the high-throughput generation of new structures and input files.

          -
          -class QeTransmuter(queryengine, criteria, transformations, extend_collection=0, ncores=None)[source]
          +
          +class QeTransmuter(queryengine, criteria, transformations, extend_collection=0, ncores=None)[source]

          Bases: pymatgen.alchemy.transmuters.StandardTransmuter

          The QeTransmuter uses a QueryEngine to retrieve and generate new structures from a database.

          @@ -95,14 +96,14 @@

          Submodules +

          +

          Module contents

          This package provides a version of pymatgen’s alchemy transmuter for performing transformations on structures queried from a Materials Project style database.

          -
          -
          + +
          diff --git a/docs/pymatgen.db.builders.examples.html b/docs/pymatgen.db.builders.examples.html index f1a2291..0927a5b 100644 --- a/docs/pymatgen.db.builders.examples.html +++ b/docs/pymatgen.db.builders.examples.html @@ -4,11 +4,12 @@ - - pymatgen.db.builders.examples package — pymatgen-db 2021.5.13 documentation - - - + + + pymatgen.db.builders.examples package — pymatgen-db 2021.5.28 documentation + + + @@ -45,7 +46,7 @@

          Navigation

        • previous |
          • -
        • pymatgen-db 2021.5.13 documentation »
          • +
        • pymatgen-db 2021.5.28 documentation »
        • pymatgen.db package »
        • pymatgen.db.builders package »
        • pymatgen.db.builders.examples package
          • @@ -57,12 +58,12 @@

          Navigation

          -
          +

          pymatgen.db.builders.examples package

          -
          +

          Submodules

          -
          -
          +
          +

          pymatgen.db.builders.examples.copy_builder module

          Simple “copy” builder.

          Copies from one collection to another. @@ -71,8 +72,8 @@

          Submodules -
          -class CopyBuilder(*args, **kwargs)[source]
          +
          +class CopyBuilder(*args, **kwargs)[source]

          Bases: pymatgen.db.builders.core.Builder

          Copy from one MongoDB collection to another.

          Create new builder for threaded or multiprocess execution.

          @@ -85,8 +86,8 @@

          Submodules -
          -get_items(source=None, target=None, crit=None)[source]
          +
          +get_items(source=None, target=None, crit=None)[source]

          Copy records from source to target collection.

          Parameters
          @@ -100,8 +101,8 @@

          Submodules -
          -process_item(item)[source]
          +
          +process_item(item)[source]

          Implement the analysis for each item of work here.

          Parameters
          @@ -119,13 +120,13 @@

          Submodules +

          +

          pymatgen.db.builders.examples.file_builders module

          Example builders that read or write files.

          -
          -class FileCounter(**kwargs)[source]
          +
          +class FileCounter(**kwargs)[source]

          Bases: pymatgen.db.builders.core.Builder

          Count lines and characters in a file.

          Create new builder for threaded or multiprocess execution.

          @@ -138,8 +139,8 @@

          Submodules -
          -finalize(errors)[source]
          +
          +finalize(errors)[source]

          Perform any cleanup actions after all items have been processed. Subclasses may choose not to implement this, in which case it is a no-op.

          @@ -153,8 +154,8 @@

          Submodules -
          -get_items(input_file=None)[source]
          +
          +get_items(input_file=None)[source]

          Perform one-time setup at the top of a run, returning an iterator on items to use as input.

          If get_parameters() doesn’t return None, this method is used to @@ -181,8 +182,8 @@

          Submodules -
          -get_parameters()[source]
          +
          +get_parameters()[source]

          Return key/value pairs that will be passed to get_items().

          This is an alternative to the use of special docstrings as described in get_items().

          @@ -205,8 +206,8 @@

          Submodules -
          -process_item(item)[source]
          +
          +process_item(item)[source]

          Implement the analysis for each item of work here.

          Parameters
          @@ -224,15 +225,15 @@

          Submodules +

          +

          pymatgen.db.builders.examples.maxvalue_builder module

          Build a derived collection with the maximum value from each ‘group’ defined in the source collection.

          -
          -class MaxValueBuilder(ncores=1)[source]
          +
          +class MaxValueBuilder(ncores=1)[source]

          Bases: pymatgen.db.builders.core.Builder

          Example of incremental builder that requires some custom logic for incremental case.

          @@ -246,14 +247,14 @@

          Submodules -
          -finalize(errs)[source]
          +
          +finalize(errs)[source]

          Update target collection with calculated maximum values.

          -
          -get_items(source=None, target=None)[source]
          +
          +get_items(source=None, target=None)[source]

          Get all records from source collection to add to target.

          Parameters
          @@ -266,20 +267,20 @@

          Submodules -
          -process_item(item)[source]
          +
          +process_item(item)[source]

          Calculate new maximum value for each group, for “new” items only.

          -
          -
          + +

          Module contents

          Description.

          -
          -
          + +
          diff --git a/docs/pymatgen.db.builders.html b/docs/pymatgen.db.builders.html index 43524a2..5cfc1c6 100644 --- a/docs/pymatgen.db.builders.html +++ b/docs/pymatgen.db.builders.html @@ -4,11 +4,12 @@ - - pymatgen.db.builders package — pymatgen-db 2021.5.13 documentation - - - + + + pymatgen.db.builders package — pymatgen-db 2021.5.28 documentation + + + @@ -45,7 +46,7 @@

          Navigation

        • previous |
          • -
        • pymatgen-db 2021.5.13 documentation »
          • +
        • pymatgen-db 2021.5.28 documentation »
        • pymatgen.db package »
        • pymatgen.db.builders package
          • @@ -56,9 +57,9 @@

          Navigation

          -
          +

          pymatgen.db.builders package

          -
          +

          Subpackages

            @@ -72,24 +73,24 @@

            Subpackages +

          +

          Submodules

          -
          -
          +
          +

          pymatgen.db.builders.core module

          Shared code for builders.

          For developers implementing a new builder, you should inherit from Builder.

          -
          -exception BuildError(who, why)[source]
          +
          +exception BuildError(who, why)[source]

          Bases: Exception

          -
          -class Builder(ncores=1)[source]
          +
          +class Builder(ncores=1)[source]

          Bases: object

          Abstract base class for all builders

          To implement a new builder, inherit from this class and @@ -105,15 +106,15 @@

          Submodules -
          -connect(config)[source]
          +
          +connect(config)[source]

          Connect to database with given configuration, which may be a dict or a path to a pymatgen-db configuration.

          -
          -finalize(had_errors)[source]
          +
          +finalize(had_errors)[source]

          Perform any cleanup actions after all items have been processed. Subclasses may choose not to implement this, in which case it is a no-op.

          @@ -127,8 +128,8 @@

          Submodules -
          -abstract get_items()[source]
          +
          +abstract get_items()[source]

          Perform one-time setup at the top of a run, returning an iterator on items to use as input.

          If get_parameters() doesn’t return None, this method is used to @@ -155,8 +156,8 @@

          Submodules -
          -get_parameters()[source]
          +
          +get_parameters()[source]

          Return key/value pairs that will be passed to get_items().

          This is an alternative to the use of special docstrings as described in get_items().

          @@ -179,8 +180,8 @@

          Submodules -
          -abstract process_item(item)[source]
          +
          +abstract process_item(item)[source]

          Implement the analysis for each item of work here.

          Parameters
          @@ -197,8 +198,8 @@

          Submodules -
          -run(user_kw=None, build_kw=None)[source]
          +
          +run(user_kw=None, build_kw=None)[source]

          Run the builder.

          Parameters
          @@ -217,47 +218,47 @@

          Submodules -
          -shared_dict()[source]
          +
          +shared_dict()[source]

          Get dict that can be shared between parallel processes.

          -
          -shared_list()[source]
          +
          +shared_list()[source]

          Get list that can be shared between parallel processes.

          -
          -class BuilderStatus(num, builder)[source]
          +
          +class BuilderStatus(num, builder)[source]

          Bases: object

          Status of a Builder object run.

          -
          -FAILURE = -1
          +
          +FAILURE = -1
          -
          -RUNNING = 1
          +
          +RUNNING = 1
          -
          -SUCCESS = 2
          +
          +SUCCESS = 2
          -
          -WAIT = 0
          +
          +WAIT = 0
          -
          -fail(i)[source]
          +
          +fail(i)[source]

          Set state of a single process or thread to ‘failure’.

          Parameters
          @@ -270,14 +271,14 @@

          Submodules -
          -has_failures()[source]
          +
          +has_failures()[source]

          Whether there are any failures in the states.

          -
          -running(i)[source]
          +
          +running(i)[source]

          Set state of a single process or thread to ‘running’.

          Parameters
          @@ -290,8 +291,8 @@

          Submodules -
          -success(i)[source]
          +
          +success(i)[source]

          Set state of a single process or thread to ‘success’.

          Parameters
          @@ -306,8 +307,8 @@

          Submodules -
          -class Collections(db, version=1, prefix=None, task_suffix=None)[source]
          +
          +class Collections(db, version=1, prefix=None, task_suffix=None)[source]

          Bases: object

          Interface to normalized names for collections.

          After initialization with a MongoDB database and optional parameters, @@ -328,18 +329,18 @@

          Submodules -
          -MAX_VER = 1
          +
          +MAX_VER = 1

          -
          -MIN_VER = 1
          +
          +MIN_VER = 1
          -
          -
          -property database
          +
          +
          +property database

          Return the current database object.

          Returns
          @@ -349,13 +350,13 @@

          Submodules -
          -get_collection_name(alias)[source]
          +
          +get_collection_name(alias)[source]

          -
          -known_collections = ['tasks', 'materials', 'diffraction_patterns', 'electrodes', 'conversion_electrodes', 'bandstructures', 'icsd', 'phase_diagrams', 'brototypes', 'electronic_structure']
          +
          +known_collections = ['tasks', 'materials', 'diffraction_patterns', 'electrodes', 'conversion_electrodes', 'bandstructures', 'icsd', 'phase_diagrams', 'brototypes', 'electronic_structure']

          Collection names that are accessible as attributes of an instance of this class

          @@ -363,8 +364,8 @@

          Submodules -
          -class HasExamples[source]
          +
          +class HasExamples[source]

          Bases: object

          Mix-in class for checking the output of a builder.

          This is a way to get some static checking of the schema of inserted documents, @@ -376,8 +377,8 @@

          Submodules -
          -examples()[source]
          +
          +examples()[source]

          Return example document(s) for collection(s).

          This must be implemented in subclasses.

          @@ -391,8 +392,8 @@

          Submodules -
          -validate_examples(fail_fn)[source]
          +
          +validate_examples(fail_fn)[source]

          Check the examples against the schema.

          Parameters
          @@ -404,35 +405,35 @@

          Submodules -
          -class ProcRunner[source]
          +
          +class ProcRunner[source]

          Bases: object

          This is a work-around to the limitation of multiprocessing that the function executed in the new module cannot be a method of a class. We simply set the instance (self) into the class before forking each process, and the class’ method calls the instance method for us.

          -
          -instance = None
          +
          +instance = None
          -
          -classmethod run(index)[source]
          +
          +classmethod run(index)[source]

          -
          -alphadump(d, indent=2, depth=0)[source]
          +
          +alphadump(d, indent=2, depth=0)[source]

          Dump a dict to a str, with keys in alphabetical order.

          -
          -merge_tasks(core_collections, sandbox_collections, id_prefix, new_tasks, batch_size=100, wipe=False)[source]
          +
          +merge_tasks(core_collections, sandbox_collections, id_prefix, new_tasks, batch_size=100, wipe=False)[source]

          Merge core and sandbox collections into a temporary collection in the sandbox.

          Parameters
          @@ -445,8 +446,8 @@

          Submodules -
          -parse_fn_docstring(fn)[source]
          +
          +parse_fn_docstring(fn)[source]

          Get parameter and return types from function’s docstring.

          Docstrings must use this format:

          :param foo: What is foo
@@ -465,8 +466,8 @@ 
          Submodules
+

          +

          pymatgen.db.builders.incr module

          Incremental builders.

          ## High-level API ##

          @@ -499,8 +500,8 @@

          Submodules -
          -class CollectionTracker(coll, create=True)[source]
          +
          +class CollectionTracker(coll, create=True)[source]

          Bases: object

          Track which records are ‘new’ in a MongoDB collection with respect to a given operation.

          @@ -517,22 +518,22 @@

          Submodules -
          -TRACKING_NAME = 'tracker'
          +
          +TRACKING_NAME = 'tracker'

          Sub-collection name, added as “.<TRACKING_NAME>” to the name of the target collection to create the tracking collection.

          -
          -create()[source]
          +
          +create()[source]

          Create tracking collection. Does nothing if tracking collection already exists.

          -
          -retrieve(operation, field=None)[source]
          +
          +retrieve(operation, field=None)[source]

          Retrieve a position in this collection.

          Parameters
          @@ -554,8 +555,8 @@

          Submodules -
          -save(mark)[source]
          +
          +save(mark)[source]

          Save a position in this collection.

          Parameters
          @@ -567,29 +568,29 @@

          Submodules -
          -property tracking_collection
          +
          +
          +property tracking_collection

          Return current tracking collection, or None if it does not exist.

          -
          -
          -property tracking_collection_name
          +
          +
          +property tracking_collection_name

          -
          -exception DBError[source]
          +
          +exception DBError[source]

          Bases: Exception

          Generic database error.

          -
          -class Mark(collection=None, operation=None, field=None, pos=None)[source]
          +
          +class Mark(collection=None, operation=None, field=None, pos=None)[source]

          Bases: object

          The position in a collection for the last record that was processed by a given operation.

          @@ -605,29 +606,29 @@

          Submodules -
          -FLD_FLD = 'field'
          +
          +FLD_FLD = 'field'

          -
          -FLD_MARK = 'mark'
          +
          +FLD_MARK = 'mark'
          -
          -FLD_OP = 'operation'
          +
          +FLD_OP = 'operation'
          -
          -as_dict()[source]
          +
          +as_dict()[source]

          Representation as a dict for JSON serialization.

          -
          -classmethod from_dict(coll, d)[source]
          +
          +classmethod from_dict(coll, d)[source]

          Construct from dict

          Parameters
          @@ -645,14 +646,14 @@

          Submodules -
          -property pos
          +
          +
          +property pos
          -
          -
          -property query
          +
          +
          +property query

          A mongdb query expression to find all records with higher values for this mark’s fields in the collection.

          @@ -663,14 +664,14 @@

          Submodules -
          -to_dict()
          +
          +to_dict()

          Representation as a dict for JSON serialization.

          -
          -update()[source]
          +
          +update()[source]

          Update the position of the mark in the collection.

          Returns
          @@ -685,55 +686,55 @@

          Submodules -
          -exception NoTrackingCollection[source]
          +
          +exception NoTrackingCollection[source]

          Bases: Exception

          Raised if no tracking collection is present, but some operation is requested on that collection.

          -
          -class Operation(value)[source]
          +
          +class Operation(value)[source]

          Bases: enum.Enum

          Enumeration of collection operations.

          -
          -build = 2
          +
          +build = 2
          -
          -copy = 1
          +
          +copy = 1
          -
          -other = 99
          +
          +other = 99
          -
          -class TrackedCollection(coll, operation=None, field=None)[source]
          +
          +class TrackedCollection(coll, operation=None, field=None)[source]

          Bases: object

          Wrapper on a pymongo collection to make `find’ operations start after the “tracking” mark.

          -
          -findall(*args, **kwargs)[source]
          +
          +findall(*args, **kwargs)[source]

          Call non-tracked find() operation with same args.

          -
          -set_mark()[source]
          +
          +set_mark()[source]
          -
          -set_tracking(is_tracked)[source]
          +
          +set_tracking(is_tracked)[source]

          Set whether find() transparently starts from after the mark (True), or whether it ignores the tracking info and acts like a normal find() operation (False).

          @@ -748,16 +749,16 @@

          Submodules -
          -tracked_find(*args, **kwargs)[source]
          +
          +tracked_find(*args, **kwargs)[source]

          Replacement for regular find().

          -
          -class TrackedQueryEngine(track_operation=None, track_field=None, **kwargs)[source]
          +
          +class TrackedQueryEngine(track_operation=None, track_field=None, **kwargs)[source]

          Bases: pymatgen.db.query_engine.QueryEngine, pymatgen.db.builders.incr.TrackingInterface

          A QueryEngine subclass that only examines records past the last ‘mark’ that was set for the @@ -767,34 +768,34 @@

          Submodulest.findall instead.

          Constructor.

          -
          -
          -property collection_name
          +
          +
          +property collection_name

          Override base class to make this a tracked collection. See @collection_name.setter()

          -
          -set_mark()[source]
          +
          +set_mark()[source]

          See TrackingInterface.set_mark()

          -
          -
          -property tracking
          +
          +
          +property tracking

          Whether tracking is really enabled.

          -
          -class TrackingInterface[source]
          +
          +class TrackingInterface[source]

          Bases: object

          -
          -abstract set_mark()[source]
          +
          +abstract set_mark()[source]

          Set the mark to the current end of the collection. This is saved in the database so it is available for later operations.

          @@ -802,8 +803,8 @@

          Submodules -
          -class UnTrackedQueryEngine(host='127.0.0.1', port=27017, database='vasp', user=None, password=None, collection='tasks', aliases_config=None, default_properties=None, query_post=None, result_post=None, connection=None, replicaset=None, **ignore)[source]
          +
          +class UnTrackedQueryEngine(host='127.0.0.1', port=27017, database='vasp', user=None, password=None, collection='tasks', aliases_config=None, default_properties=None, query_post=None, result_post=None, connection=None, replicaset=None, **ignore)[source]

          Bases: pymatgen.db.query_engine.QueryEngine, pymatgen.db.builders.incr.TrackingInterface

          A QE that has the interface for tracking, but does nothing for it. Allows for callers to do same operations regardless of whether tracking is @@ -862,20 +863,20 @@

          Submodules -
          -set_mark()[source]
          +
          +set_mark()[source]

          Does nothing and returns None.

          -

          -
          + +

          pymatgen.db.builders.schema module

          Utility module for schema validation, for builder testing

          -
          -class HasMeta(meta)[source]
          +
          +class HasMeta(meta)[source]

          Bases: object

          Mix-in class to handle metadata. Adds the ‘meta’ class attribute.

          @@ -889,25 +890,25 @@

          Submodules -
          -FIELD_SEP = ','
          +
          +FIELD_SEP = ','

          -
          -KV_SEP = ':'
          +
          +KV_SEP = ':'
          -
          -add_meta(key, value)[source]
          +
          +add_meta(key, value)[source]
          -
          -class Scalar(typecode, optional=False, meta='')[source]
          +
          +class Scalar(typecode, optional=False, meta='')[source]

          Bases: pymatgen.db.builders.schema.HasMeta

          Create with new metadata (which may be empty). The metadata should be dict-like (i.e. __getitem__ and __setitem__) or @@ -919,26 +920,26 @@

          Submodules -
          -JSTYPES = {'bool': 'boolean', 'date': 'string', 'datetime': 'string', 'float': 'number', 'int': 'integer', 'null': 'null', 'string': 'string'}
          +
          +JSTYPES = {'bool': 'boolean', 'date': 'string', 'datetime': 'string', 'float': 'number', 'int': 'integer', 'null': 'null', 'string': 'string'}

          -
          -TYPES = {'array': <function Scalar.<lambda>>, 'bool': <function Scalar.<lambda>>, 'date': <function _is_datetime>, 'datetime': <function _is_datetime>, 'float': <function Scalar.<lambda>>, 'int': <function Scalar.<lambda>>, 'null': <function Scalar.<lambda>>, 'object': <function Scalar.<lambda>>, 'string': <function Scalar.<lambda>>}
          +
          +TYPES = {'array': <function Scalar.<lambda>>, 'bool': <function Scalar.<lambda>>, 'date': <function _is_datetime>, 'datetime': <function _is_datetime>, 'float': <function Scalar.<lambda>>, 'int': <function Scalar.<lambda>>, 'null': <function Scalar.<lambda>>, 'object': <function Scalar.<lambda>>, 'string': <function Scalar.<lambda>>}
          -
          -
          -property jstype
          +
          +
          +property jstype

          Return JavaScript type.

          -
          -class Schema(schema, optional=False, meta='')[source]
          +
          +class Schema(schema, optional=False, meta='')[source]

          Bases: pymatgen.db.builders.schema.HasMeta

          Create with new metadata (which may be empty). The metadata should be dict-like (i.e. __getitem__ and __setitem__) or @@ -950,23 +951,23 @@

          Submodules -
          -IS_DICT = 1
          +
          +IS_DICT = 1

          -
          -IS_LIST = 0
          +
          +IS_LIST = 0
          -
          -IS_SCALAR = 2
          +
          +IS_SCALAR = 2
          -
          -json_schema(**add_keys)[source]
          +
          +json_schema(**add_keys)[source]

          Convert our compact schema representation to the standard, but more verbose, JSON Schema standard.

          Example JSON schema: http://json-schema.org/examples.html @@ -980,40 +981,40 @@

          Submodules -
          -validate(doc, path='(root)')[source]
          +
          +validate(doc, path='(root)')[source]

          -
          -exception SchemaError[source]
          +
          +exception SchemaError[source]

          Bases: Exception

          Base class of all errors raised by schema creation or validation.

          -
          -exception SchemaParseError[source]
          +
          +exception SchemaParseError[source]

          Bases: pymatgen.db.builders.schema.SchemaError

          -
          -exception SchemaPathError[source]
          +
          +exception SchemaPathError[source]

          Bases: pymatgen.db.builders.schema.SchemaError

          -
          -exception SchemaTypeError(typename)[source]
          +
          +exception SchemaTypeError(typename)[source]

          Bases: pymatgen.db.builders.schema.SchemaError

          -
          -add_schemas(path, ext='json')[source]
          +
          +add_schemas(path, ext='json')[source]

          Add schemas from files in ‘path’.

          Parameters
          @@ -1035,8 +1036,8 @@

          Submodules -
          -get_schema(name)[source]
          +
          +get_schema(name)[source]

          Get schema by name

          Parameters
          @@ -1055,8 +1056,8 @@

          Submodules -
          -load_schema(file_or_fp)[source]
          +
          +load_schema(file_or_fp)[source]

          Load schema from file.

          Parameters
          @@ -1069,13 +1070,13 @@

          Submodules +

          +

          pymatgen.db.builders.util module

          Common utility functions for the database functions

          -
          -get_builder_log(name)[source]
          +
          +get_builder_log(name)[source]

          Get a logging object, in the right place in the hierarchy, for a given builder.

          @@ -1092,8 +1093,8 @@

          Submodules -
          -get_schema_dir(db_version=1)[source]
          +
          +get_schema_dir(db_version=1)[source]

          Get path to directory with schemata.

          Parameters
          @@ -1109,8 +1110,8 @@

          Submodules -
          -get_schema_file(db_version=1, db='mg_core', collection='materials')[source]
          +
          +get_schema_file(db_version=1, db='mg_core', collection='materials')[source]

          Get file with appropriate schema.

          Parameters
          @@ -1133,8 +1134,8 @@

          Submodules -
          -get_test_dir(name=None)[source]
          +
          +get_test_dir(name=None)[source]

          Get path to subdirectory with test files related to a given class.

          @@ -1150,11 +1151,11 @@

          Submodules +

          +

          Module contents

          -
          -
          + +
          diff --git a/docs/pymatgen.db.html b/docs/pymatgen.db.html index 9ad6226..a948540 100644 --- a/docs/pymatgen.db.html +++ b/docs/pymatgen.db.html @@ -4,11 +4,12 @@ - - pymatgen.db package — pymatgen-db 2021.5.13 documentation - - - + + + pymatgen.db package — pymatgen-db 2021.5.28 documentation + + + @@ -45,7 +46,7 @@

          Navigation

        • previous |
          • -
        • pymatgen-db 2021.5.13 documentation »
          • +
        • pymatgen-db 2021.5.28 documentation »
        • pymatgen.db package
          • @@ -55,9 +56,9 @@

          Navigation

          -
          +

          pymatgen.db package

          -
          +

          Subpackages

            @@ -104,17 +105,17 @@

            Subpackages +

          +

          Submodules

          -
          -
          +
          +

          pymatgen.db.creator module

          This module defines a Drone to assimilate vasp data and insert it into a Mongo database.

          -
          -class VaspToDbTaskDrone(host='127.0.0.1', port=27017, database='vasp', user=None, password=None, collection='tasks', parse_dos=False, compress_dos=False, parse_projected_eigen=False, simulate_mode=False, additional_fields=None, update_duplicates=True, mapi_key=None, use_full_uri=True, runs=None)[source]
          +
          +class VaspToDbTaskDrone(host='127.0.0.1', port=27017, database='vasp', user=None, password=None, collection='tasks', parse_dos=False, compress_dos=False, parse_projected_eigen=False, simulate_mode=False, additional_fields=None, update_duplicates=True, mapi_key=None, use_full_uri=True, runs=None)[source]

          Bases: pymatgen.apps.borg.hive.AbstractDrone

          VaspToDbTaskDrone assimilates directories containing vasp input to inserted db tasks. This drone is meant ot be used with pymatgen’s @@ -185,14 +186,14 @@

          Submodules -
          -as_dict()[source]
          +
          +as_dict()[source]

          A JSON serializable dict representation of an object.

          -
          -assimilate(path)[source]
          +
          +assimilate(path)[source]

          Parses vasp runs. Then insert the result into the db. and return the task_id or doc of the insertion.

          @@ -204,18 +205,18 @@

          Submodules -
          -calculate_stability(d)[source]
          +
          +calculate_stability(d)[source]

          -
          -convert(d)[source]
          +
          +convert(d)[source]
          -
          -classmethod from_dict(d)[source]
          +
          +classmethod from_dict(d)[source]
          Parameters

          d – Dict representation.

          @@ -227,21 +228,21 @@

          Submodules -
          -generate_doc(dir_name, vasprun_files)[source]
          +
          +generate_doc(dir_name, vasprun_files)[source]

          Process aflow style runs, where each run is actually a combination of two vasp runs.

          -
          -get_task_doc(path)[source]
          +
          +get_task_doc(path)[source]

          Get the entire task doc for a path, including any post-processing.

          -
          -get_valid_paths(path)[source]
          +
          +get_valid_paths(path)[source]

          There are some restrictions on the valid directory structures:

          1. There can be only one vasp run in each directory. Nested directories @@ -254,8 +255,8 @@

            Submodules -
            -post_process(dir_name, d)[source]
            +
            +post_process(dir_name, d)[source]

            Simple post-processing for various files other than the vasprun.xml. Called by generate_task_doc. Modify this if your runs have other kinds of processing requirements.

            @@ -270,22 +271,22 @@

            Submodules -
            -process_killed_run(dir_name)[source]
            +
            +process_killed_run(dir_name)[source]

            Process a killed vasp run.

          -
          -process_vasprun(dir_name, taskname, filename)[source]
          +
          +process_vasprun(dir_name, taskname, filename)[source]

          Process a vasprun.xml file.

          -
          -contains_vasp_input(dir_name)[source]
          +
          +contains_vasp_input(dir_name)[source]

          Checks if a directory contains valid VASP input.

          Parameters
          @@ -299,13 +300,13 @@

          Submodules -
          -get_basic_analysis_and_error_checks(d, max_force_threshold=0.5, volume_change_threshold=0.2)[source]
          +
          +get_basic_analysis_and_error_checks(d, max_force_threshold=0.5, volume_change_threshold=0.2)[source]

          -
          -get_coordination_numbers(d)[source]
          +
          +get_coordination_numbers(d)[source]

          Helper method to get the coordination number of all sites in the final structure from a run.

          @@ -323,8 +324,8 @@

          Submodules -
          -get_uri(dir_name)[source]
          +
          +get_uri(dir_name)[source]

          Returns the URI path for a directory. This allows files hosted on different file servers to have distinct locations.

          @@ -340,8 +341,8 @@

          Submodules +

          +

          pymatgen.db.dbconfig module

          Database configuration functions.

          Main class is DBConfig, which encapsulates a database configuration @@ -355,14 +356,14 @@

          Submodules -
          -exception ConfigurationFileError(filename, err)[source]
          +
          +exception ConfigurationFileError(filename, err)[source]

          Bases: Exception

          -
          -class DBConfig(config_file=None, config_dict=None)[source]
          +
          +class DBConfig(config_file=None, config_dict=None)[source]

          Bases: object

          Database configuration.

          Constructor.

          @@ -382,78 +383,78 @@

          Submodules -
          -ALL_SETTINGS = ['host', 'port', 'database', 'collection', 'aliases']
          +
          +ALL_SETTINGS = ['host', 'port', 'database', 'collection', 'aliases']

          -
          -DEFAULT_FILE = 'db.json'
          +
          +DEFAULT_FILE = 'db.json'
          -
          -DEFAULT_PORT = 27017
          +
          +DEFAULT_PORT = 27017
          -
          -DEFAULT_SETTINGS = [('host', 'localhost'), ('port', 27017), ('database', 'vasp'), ('aliases', {})]
          +
          +DEFAULT_SETTINGS = [('host', 'localhost'), ('port', 27017), ('database', 'vasp'), ('aliases', {})]
          -
          -
          -property collection
          +
          +
          +property collection
          -
          -copy()[source]
          +
          +copy()[source]

          Return a copy of self (internal settings are copied).

          -
          -
          -property dbname
          +
          +
          +property dbname

          Name of the database.

          -
          -
          -property host
          +
          +
          +property host
          -
          -
          -property password
          +
          +
          +property password
          -
          -
          -property port
          +
          +
          +property port
          -
          -
          -property settings
          +
          +
          +property settings
          -
          -
          -property user
          +
          +
          +property user
          -
          -auth_aliases(d)[source]
          +
          +auth_aliases(d)[source]

          Interpret user/password aliases.

          -
          -get_settings(infile)[source]
          +
          +get_settings(infile)[source]

          Read settings from input file.

          Parameters
          @@ -469,8 +470,8 @@

          Submodules -
          -normalize_auth(settings, admin=True, readonly=True, readonly_first=False)[source]
          +
          +normalize_auth(settings, admin=True, readonly=True, readonly_first=False)[source]

          Transform the readonly/admin user and password to simple user/password, as expected by QueryEngine. If return value is true, then admin or readonly password will be in keys “user” and “password”.

          @@ -492,27 +493,27 @@

          Submodules +

          +

          pymatgen.db.dbgroup module

          Create and access groups of databases, each configured from different settings.

          -
          -class ConfigGroup(qe_class=<class 'pymatgen.db.query_engine.QueryEngine'>)[source]
          +
          +class ConfigGroup(qe_class=<class 'pymatgen.db.query_engine.QueryEngine'>)[source]

          Bases: object

          Convenient storage and access to a group of database configurations.

          Will automatically instantiate these configurations, as query engines, on-demand.

          -
          -SEP = '.'
          +
          +SEP = '.'
          -
          -add(name, cfg, expand=False)[source]
          +
          +add(name, cfg, expand=False)[source]

          Add a configuration object.

          Parameters
          @@ -533,8 +534,8 @@

          Submodules -
          -add_path(path, pattern='*.json')[source]
          +
          +add_path(path, pattern='*.json')[source]

          Add configuration file(s) in path. The path can be a single file or a directory. If path is a directory, then pattern @@ -553,8 +554,8 @@

          Submodules -
          -expand(name)[source]
          +
          +expand(name)[source]

          Expand config for name by adding a sub-configuration for every dot-separated collection “below” the given one (or all, if none given).

          @@ -579,13 +580,13 @@

          Submodules -
          -keys()[source]
          +
          +keys()[source]

          -
          -set_prefix(prefix=None)[source]
          +
          +set_prefix(prefix=None)[source]

          Set prefix to use as a namespace for item lookup. A dot (.) will be automatically added to the given string.

          @@ -599,8 +600,8 @@

          Submodules -
          -uncache(name)[source]
          +
          +uncache(name)[source]

          Remove all created query engines that match name from the cache (this disconnects from MongoDB, which is the point).

          @@ -616,14 +617,14 @@

          Submodules -
          -exception CreateQueryEngineError(cls, settings, err)[source]
          +
          +exception CreateQueryEngineError(cls, settings, err)[source]

          Bases: Exception

          -
          -class RegexDict[source]
          +
          +class RegexDict[source]

          Bases: dict

          Extend standard dict to include a function that finds values based on a @@ -632,8 +633,8 @@

          Submodules -
          -re_get(pattern)[source]
          +
          +re_get(pattern)[source]

          Return values whose key matches pattern

          Parameters
          @@ -646,8 +647,8 @@

          Submodules -
          -re_keys(pattern)[source]
          +
          +re_keys(pattern)[source]

          Find keys matching pattern.

          Parameters
          @@ -665,8 +666,8 @@

          Submodules -
          -create_query_engine(config, clazz)[source]
          +
          +create_query_engine(config, clazz)[source]

          Create and return new query engine object from the given DBConfig object.

          @@ -683,14 +684,14 @@

          Submodules +

          +

          pymatgen.db.query_engine module

          This module provides a QueryEngine that simplifies queries for Mongo databases generated using hive.

          -
          -class QueryEngine(host='127.0.0.1', port=27017, database='vasp', user=None, password=None, collection='tasks', aliases_config=None, default_properties=None, query_post=None, result_post=None, connection=None, replicaset=None, **ignore)[source]
          +
          +class QueryEngine(host='127.0.0.1', port=27017, database='vasp', user=None, password=None, collection='tasks', aliases_config=None, default_properties=None, query_post=None, result_post=None, connection=None, replicaset=None, **ignore)[source]

          Bases: object

          This class defines a QueryEngine interface to a Mongo Collection based on a set of aliases. This query engine also provides convenient translation @@ -761,78 +762,78 @@

          Submodules -
          -ALIASES_CONFIG_KEY = 'aliases_config'
          +
          +ALIASES_CONFIG_KEY = 'aliases_config'

          -
          -COLLECTION_KEY = 'collection'
          +
          +COLLECTION_KEY = 'collection'
          -
          -DB_KEY = 'database'
          +
          +DB_KEY = 'database'
          -
          -HOST_KEY = 'host'
          +
          +HOST_KEY = 'host'
          -
          -PASSWORD_KEY = 'password'
          +
          +PASSWORD_KEY = 'password'
          -
          -PORT_KEY = 'port'
          +
          +PORT_KEY = 'port'
          -
          -USER_KEY = 'user'
          +
          +USER_KEY = 'user'
          -
          -aliases = None
          +
          +aliases = None

          See aliases arg to constructor

          -
          -close()[source]
          +
          +close()[source]

          Disconnects the connection.

          -
          -
          -property collection_name
          +
          +
          +property collection_name
          -
          -default_criteria = None
          +
          +default_criteria = None

          See default_criteria arg to constructor

          -
          -default_properties = None
          +
          +default_properties = None

          See default_properties arg to constructor

          -
          -ensure_index(key, unique=False)[source]
          +
          +ensure_index(key, unique=False)[source]

          Wrapper for pymongo.Collection.ensure_index

          -
          -static from_config(config_file, use_admin=False)[source]
          +
          +static from_config(config_file, use_admin=False)[source]

          Initialize a QueryEngine from a JSON config file generated using mgdb init.

          @@ -851,14 +852,14 @@

          Submodules -
          -get_dos_from_id(task_id)[source]
          +
          +get_dos_from_id(task_id)[source]

          Overrides the get_dos_from_id for the MIT gridfs format.

          -
          -get_entries(criteria, inc_structure=False, optional_data=None)[source]
          +
          +get_entries(criteria, inc_structure=False, optional_data=None)[source]

          Get ComputedEntries satisfying a particular criteria.

          Note

          @@ -887,8 +888,8 @@

          Submodules -
          -get_entries_in_system(elements, inc_structure=False, optional_data=None, additional_criteria=None)[source]
          +
          +get_entries_in_system(elements, inc_structure=False, optional_data=None, additional_criteria=None)[source]

          Gets all entries in a chemical system, e.g. Li-Fe-O will return all Li-O, Fe-O, Li-Fe, Li-Fe-O compounds.

          @@ -920,8 +921,8 @@

          Submodules -
          -get_structure_from_id(task_id, final_structure=True)[source]
          +
          +get_structure_from_id(task_id, final_structure=True)[source]

          Returns a structure from the database given the task id.

          Parameters
          @@ -935,8 +936,8 @@

          Submodules -
          -query(properties=None, criteria=None, distinct_key=None, **kwargs)[source]
          +
          +query(properties=None, criteria=None, distinct_key=None, **kwargs)[source]

          Convenience method for database access. All properties and criteria can be specified using simplified names defined in Aliases. You can use the supported_properties property to get the list of supported @@ -973,26 +974,26 @@

          Submodules -
          -query_one(*args, **kwargs)[source]
          +
          +query_one(*args, **kwargs)[source]

          Return first document from query(), with same parameters.

          -
          -query_post = None
          +
          +query_post = None

          See query_post arg to constructor

          -
          -result_post = None
          +
          +result_post = None

          See result_post arg to constructor

          -
          -set_aliases_and_defaults(aliases_config=None, default_properties=None)[source]
          +
          +set_aliases_and_defaults(aliases_config=None, default_properties=None)[source]

          Set the alias config and defaults to use. Typically used when switching to a collection with a different schema.

          @@ -1010,8 +1011,8 @@

          Submodules -
          -set_collection(collection)[source]
          +
          +set_collection(collection)[source]

          To Be Deprecated: this should be replaced with the @property collection_name

          Switch to another collection. Note that you may have to set the aliases and default properties via set_aliases_and_defaults if the @@ -1026,15 +1027,15 @@

          Submodules -
          -exception QueryError[source]
          +
          +exception QueryError[source]

          Bases: Exception

          Exception class for errors occuring during queries.

          -
          -class QueryListResults(prop_dict, result_cursor, postprocess=None)[source]
          +
          +class QueryListResults(prop_dict, result_cursor, postprocess=None)[source]

          Bases: pymatgen.db.query_engine.QueryResults

          Set of QueryResults on a list instead of a MongoDB cursor.

          Constructor.

          @@ -1049,15 +1050,15 @@

          Submodules -
          -clone()[source]
          +
          +clone()[source]

          -
          -class QueryResults(prop_dict, result_cursor, postprocess=None)[source]
          +
          +class QueryResults(prop_dict, result_cursor, postprocess=None)[source]

          Bases: collections.abc.Iterable

          Iterable wrapper for results from QueryEngine. Like pymongo’s cursor, this object should generally not be instantiated, @@ -1077,25 +1078,25 @@

          Submodules -
          -clone()[source]
          +
          +clone()[source]

          -
          -from_cursor(cursor)[source]
          +
          +from_cursor(cursor)[source]

          Create a QueryResults object from a cursor object

          -
          -
          + +

          pymatgen.db.util module

          Utility functions used across scripts.

          -
          -class MongoJSONEncoder(*, skipkeys=False, ensure_ascii=True, check_circular=True, allow_nan=True, sort_keys=False, indent=None, separators=None, default=None)[source]
          +
          +class MongoJSONEncoder(*, skipkeys=False, ensure_ascii=True, check_circular=True, allow_nan=True, sort_keys=False, indent=None, separators=None, default=None)[source]

          Bases: json.encoder.JSONEncoder

          Constructor for JSONEncoder, with sensible defaults.

          If skipkeys is false, then it is a TypeError to attempt @@ -1120,15 +1121,15 @@

          SubmodulesNone and +tuple. The default is (’, ‘, ‘: ‘) if indent is None and (‘,’, ‘: ‘) otherwise. To get the most compact JSON representation, you should specify (‘,’, ‘:’) to eliminate whitespace.

          If specified, default is a function that gets called for objects that can’t otherwise be serialized. It should return a JSON encodable version of the object or raise a TypeError.

          -
          -default(o)[source]
          +
          +default(o)[source]

          Implement this method in a subclass such that it returns a serializable object for o, or calls the base implementation (to raise a TypeError).

          @@ -1150,8 +1151,8 @@

          Submodules -
          -collection_keys(coll, sep='.')[source]
          +
          +collection_keys(coll, sep='.')[source]

          Get a list of all (including nested) keys in a collection. Examines the first document in the collection.

          @@ -1165,45 +1166,45 @@

          Submodules -
          -csv_dict(d)[source]
          +
          +csv_dict(d)[source]

          Format dict to a string with comma-separated values.

          -
          -csv_list(l)[source]
          +
          +csv_list(l)[source]

          Format list to a string with comma-separated values.

          -
          -get_collection(config_file, admin=False, settings=None)[source]
          +
          +get_collection(config_file, admin=False, settings=None)[source]
          -
          -get_database(config_file=None, settings=None, admin=False, **kwargs)[source]
          +
          +get_database(config_file=None, settings=None, admin=False, **kwargs)[source]
          -
          -get_settings(config_file)[source]
          +
          +get_settings(config_file)[source]
          -
          -kvp_dict(d)[source]
          +
          +kvp_dict(d)[source]

          Format dict to key=value pairs.

          -
          -quotable(v)[source]
          +
          +quotable(v)[source]
          -

          -
          + +

          Module contents

          Pymatgen-db is a database add-on for the Python Materials Genomics (pymatgen) materials analysis library. It enables the creation of Materials @@ -1211,8 +1212,8 @@

          Submodules

          diff --git a/docs/pymatgen.db.vv.html b/docs/pymatgen.db.vv.html index 8c200b7..99eb858 100644 --- a/docs/pymatgen.db.vv.html +++ b/docs/pymatgen.db.vv.html @@ -4,11 +4,12 @@ - - pymatgen.db.vv package — pymatgen-db 2021.5.13 documentation - - - + + + pymatgen.db.vv package — pymatgen-db 2021.5.28 documentation + + + @@ -41,7 +42,7 @@

          Navigation

        • previous |
          • -
        • pymatgen-db 2021.5.13 documentation »
          • +
        • pymatgen-db 2021.5.28 documentation »
        • pymatgen.db package »
        • pymatgen.db.vv package
          • @@ -52,22 +53,22 @@

          Navigation

          -
          +

          pymatgen.db.vv package

          -
          +

          Subpackages

          -
          -
          +
          +

          Submodules

          -
          -
          + +

          pymatgen.db.vv.diff module

          Diff collections, as sets

          -
          -class Delta(s)[source]
          +
          +class Delta(s)[source]

          Bases: object

          Delta between two properties.

          @@ -78,7 +79,7 @@

          Submodules -
          -as_json()[source]
          +
          +as_json()[source]

          -
          -cmp(old, new)[source]
          +
          +cmp(old, new)[source]

          Compare numeric values with delta expression.

          Returns True if delta matches (is as large or larger than) this class’ expression.

          Delta is computed as (new - old).

          @@ -121,8 +122,8 @@

          Submodules -
          -class Differ(key='_id', props=None, info=None, fltr=None, deltas=None)[source]
          +
          +class Differ(key='_id', props=None, info=None, fltr=None, deltas=None)[source]

          Bases: object

          Calculate difference between two collections, based solely on a selected key.

          @@ -145,63 +146,63 @@

          Submodules -
          -CHANGED = 'different'
          +
          +CHANGED = 'different'

          Keys in result dictionary.

          -
          -CHANGED_DELTA = 'delta'
          +
          +CHANGED_DELTA = 'delta'
          -
          -CHANGED_MATCH_DELTA = 'delta'
          +
          +CHANGED_MATCH_DELTA = 'delta'
          -
          -CHANGED_MATCH_EXACT = 'exact'
          +
          +CHANGED_MATCH_EXACT = 'exact'
          -
          -CHANGED_MATCH_KEY = 'match type'
          +
          +CHANGED_MATCH_KEY = 'match type'

          CHANGED result fields

          -
          -CHANGED_NEW = 'new'
          +
          +CHANGED_NEW = 'new'
          -
          -CHANGED_OLD = 'old'
          +
          +CHANGED_OLD = 'old'
          -
          -MISSING = 'missing'
          +
          +MISSING = 'missing'

          Keys in result dictionary.

          -
          -NEW = 'additional'
          +
          +NEW = 'additional'

          Keys in result dictionary.

          -
          -NO_PROPERTY = '__MISSING__'
          +
          +NO_PROPERTY = '__MISSING__'

          for missing property

          -
          -diff(c1, c2, only_missing=False, only_values=False, allow_dup=False)[source]
          +
          +diff(c1, c2, only_missing=False, only_values=False, allow_dup=False)[source]

          Perform a difference between the 2 collections. The first collection is treated as the previous one, and the second is treated as the new one.

          @@ -230,23 +231,23 @@

          Submodules -
          -class IID[source]
          +
          +class IID[source]

          Bases: object

          -
          -classmethod next()[source]
          +
          +classmethod next()[source]

          -
          -
          + +

          pymatgen.db.vv.report module

          Description.

          -
          -class DiffFormatter(meta, key=None)[source]
          +
          +class DiffFormatter(meta, key=None)[source]

          Bases: object

          Base class for formatting a ‘diff’ report.

          Constructor.

          @@ -262,13 +263,13 @@

          Submodules -
          -TITLE = 'Materials Project Database Diff Report'
          +
          +TITLE = 'Materials Project Database Diff Report'

          -
          -format(result)[source]
          +
          +format(result)[source]

          Format a report from a result object.

          Returns
          @@ -281,14 +282,14 @@

          Submodules -
          -ordered_cols(columns, section)[source]
          +
          +ordered_cols(columns, section)[source]

          Return ordered list of columns, from given columns and the name of the section

          -
          -result_subsets(rs)[source]
          +
          +result_subsets(rs)[source]

          Break a result set into subsets with the same keys.

          Parameters
          @@ -301,8 +302,8 @@

          Submodules -
          -sort_rows(rows, section)[source]
          +
          +sort_rows(rows, section)[source]

          Sort the rows, as appropriate for the section.

          Parameters
          @@ -320,8 +321,8 @@

          Submodules -
          -class DiffHtmlFormatter(meta, url=None, email_mode=False, **kwargs)[source]
          +
          +class DiffHtmlFormatter(meta, url=None, email_mode=False, **kwargs)[source]

          Bases: pymatgen.db.vv.report.DiffFormatter

          Format an HTML diff report.

          Constructor.

          @@ -334,18 +335,18 @@

          Submodules -
          -DIFF_CSS = ['.header {padding: 5px; margin: 0 5px;}', '.header h1 {color: #165F4B; font-size: 20; text-align: left; margin-left: 20px;}', '.header p {color: #666666; margin-left: 20px; height: 12px;}', '.header p em {color: #4169E1; font-style: normal;}', '.content {padding: 15px; padding-top: 0px; margin: 0; background-color: #F3F3F3;}', '.content h2 {color: #2C3E50; font-size: 16px;}', '.empty { font-size: 14px; font-style: italic;}', '.section {padding: 5px; margin: 10px; background-color: #E2E2E2; border-radius: 5px;}', '.section div {margin-left: 10px;}', '.section table {margin-left: 5px;}', 'tr:nth-child(even) { background-color: white; }', 'tr:nth-child(odd) { background-color: #F5F5F5; }', 'tr:nth-child(1) { background-color: #778899; font-weight: 500;}', 'th, td {padding: 0.2em 0.5em;}', 'th { text-align: left;  color: white; margin: 0;}', '.fixed { font-family: Consolas, monaco, monospace; }']
          +
          +DIFF_CSS = ['.header {padding: 5px; margin: 0 5px;}', '.header h1 {color: #165F4B; font-size: 20; text-align: left; margin-left: 20px;}', '.header p {color: #666666; margin-left: 20px; height: 12px;}', '.header p em {color: #4169E1; font-style: normal;}', '.content {padding: 15px; padding-top: 0px; margin: 0; background-color: #F3F3F3;}', '.content h2 {color: #2C3E50; font-size: 16px;}', '.empty { font-size: 14px; font-style: italic;}', '.section {padding: 5px; margin: 10px; background-color: #E2E2E2; border-radius: 5px;}', '.section div {margin-left: 10px;}', '.section table {margin-left: 5px;}', 'tr:nth-child(even) { background-color: white; }', 'tr:nth-child(odd) { background-color: #F5F5F5; }', 'tr:nth-child(1) { background-color: #778899; font-weight: 500;}', 'th, td {padding: 0.2em 0.5em;}', 'th { text-align: left;  color: white; margin: 0;}', '.fixed { font-family: Consolas, monaco, monospace; }']

          -
          -css = ["html { font-family: 'Helvetica Neue', Helvetica, Arial, sans-serif; }", 'body { margin: 2em;}', 'table { margin-top: 1em; clear: both; border: 0;}', 'dl, dt, dd { float: left; }', 'dl, dt { clear: both; }', 'dt { width: 8em; font-weight: 700; }', 'dd { width: 32em; }', 'tr:nth-child(even) { background-color: #E9E9E9; }', 'tr:nth-child(odd) { background-color: #E9E9E9; }', 'th, td {padding: 0.2em 0.5em;}', 'th { text-align: left;  color: black; margin: 0; font-weight: 300;}', 'h1, h2, h3 { clear: both; margin: 0; padding: 0; }', 'h1 { font-size: 18; color: rgb(44, 62, 80); }', 'h2 { font-size: 14; color: black; }', '.header {padding: 5px; margin: 0 5px;}', '.header h1 {color: #165F4B; font-size: 20; text-align: left; margin-left: 20px;}', '.header p {color: #666666; margin-left: 20px; height: 12px;}', '.header p em {color: #4169E1; font-style: normal;}', '.content {padding: 15px; padding-top: 0px; margin: 0; background-color: #F3F3F3;}', '.content h2 {color: #2C3E50; font-size: 16px;}', '.empty { font-size: 14px; font-style: italic;}', '.section {padding: 5px; margin: 10px; background-color: #E2E2E2; border-radius: 5px;}', '.section div {margin-left: 10px;}', '.section table {margin-left: 5px;}', 'tr:nth-child(even) { background-color: white; }', 'tr:nth-child(odd) { background-color: #F5F5F5; }', 'tr:nth-child(1) { background-color: #778899; font-weight: 500;}', 'th, td {padding: 0.2em 0.5em;}', 'th { text-align: left;  color: white; margin: 0;}', '.fixed { font-family: Consolas, monaco, monospace; }']
          +
          +css = ["html { font-family: 'Helvetica Neue', Helvetica, Arial, sans-serif; }", 'body { margin: 2em;}', 'table { margin-top: 1em; clear: both; border: 0;}', 'dl, dt, dd { float: left; }', 'dl, dt { clear: both; }', 'dt { width: 8em; font-weight: 700; }', 'dd { width: 32em; }', 'tr:nth-child(even) { background-color: #E9E9E9; }', 'tr:nth-child(odd) { background-color: #E9E9E9; }', 'th, td {padding: 0.2em 0.5em;}', 'th { text-align: left;  color: black; margin: 0; font-weight: 300;}', 'h1, h2, h3 { clear: both; margin: 0; padding: 0; }', 'h1 { font-size: 18; color: rgb(44, 62, 80); }', 'h2 { font-size: 14; color: black; }', '.header {padding: 5px; margin: 0 5px;}', '.header h1 {color: #165F4B; font-size: 20; text-align: left; margin-left: 20px;}', '.header p {color: #666666; margin-left: 20px; height: 12px;}', '.header p em {color: #4169E1; font-style: normal;}', '.content {padding: 15px; padding-top: 0px; margin: 0; background-color: #F3F3F3;}', '.content h2 {color: #2C3E50; font-size: 16px;}', '.empty { font-size: 14px; font-style: italic;}', '.section {padding: 5px; margin: 10px; background-color: #E2E2E2; border-radius: 5px;}', '.section div {margin-left: 10px;}', '.section table {margin-left: 5px;}', 'tr:nth-child(even) { background-color: white; }', 'tr:nth-child(odd) { background-color: #F5F5F5; }', 'tr:nth-child(1) { background-color: #778899; font-weight: 500;}', 'th, td {padding: 0.2em 0.5em;}', 'th { text-align: left;  color: white; margin: 0;}', '.fixed { font-family: Consolas, monaco, monospace; }']
          -
          -format(result)[source]
          +
          +format(result)[source]

          Generate HTML report.

          Returns
          @@ -358,20 +359,20 @@

          Submodules -
          -style(css_class, elt)[source]
          +
          +style(css_class, elt)[source]

          -
          -styles = {'content': {'_': 'padding: 15px; padding-top: 0px; margin: 0; background-color: #F3F3F3', 'h2': 'color: #2C3E50; font-size: 16px', 'section': 'padding: 5px; margin: 10px; background-color: #E2E2E2; border-radius: 5px'}, 'header': {'em': 'color: #4169E1; font-style: normal', 'h1': 'color: #165F4B; font-size: 20; text-align: left; margin-left: 20px', 'p': 'color: #666666; margin-left: 20px; height: 12px'}, 'table': {'table': 'margin-top: 1em; clear: both; border: 0', 'td': 'padding: 0.2em 0.5em', 'th': 'text-align: left;  color: white; margin: 0; padding: 0.2em 0.5em', 'tr1': 'background-color: #778899; font-weight: 500', 'tr_even': 'background-color: white', 'tr_odd': 'background-color: #F5F5F5'}}
          +
          +styles = {'content': {'_': 'padding: 15px; padding-top: 0px; margin: 0; background-color: #F3F3F3', 'h2': 'color: #2C3E50; font-size: 16px', 'section': 'padding: 5px; margin: 10px; background-color: #E2E2E2; border-radius: 5px'}, 'header': {'em': 'color: #4169E1; font-style: normal', 'h1': 'color: #165F4B; font-size: 20; text-align: left; margin-left: 20px', 'p': 'color: #666666; margin-left: 20px; height: 12px'}, 'table': {'table': 'margin-top: 1em; clear: both; border: 0', 'td': 'padding: 0.2em 0.5em', 'th': 'text-align: left;  color: white; margin: 0; padding: 0.2em 0.5em', 'tr1': 'background-color: #778899; font-weight: 500', 'tr_even': 'background-color: white', 'tr_odd': 'background-color: #F5F5F5'}}
          -
          -class DiffJsonFormatter(meta, pretty=False, **kwargs)[source]
          +
          +class DiffJsonFormatter(meta, pretty=False, **kwargs)[source]

          Bases: pymatgen.db.vv.report.DiffFormatter

          Constructor.

          @@ -383,8 +384,8 @@

          Submodules -
          -class Encoder(*, skipkeys=False, ensure_ascii=True, check_circular=True, allow_nan=True, sort_keys=False, indent=None, separators=None, default=None)[source]
          +
          +class Encoder(*, skipkeys=False, ensure_ascii=True, check_circular=True, allow_nan=True, sort_keys=False, indent=None, separators=None, default=None)[source]

          Bases: json.encoder.JSONEncoder

          Constructor for JSONEncoder, with sensible defaults.

          If skipkeys is false, then it is a TypeError to attempt @@ -409,15 +410,15 @@

          SubmodulesNone and +tuple. The default is (’, ‘, ‘: ‘) if indent is None and (‘,’, ‘: ‘) otherwise. To get the most compact JSON representation, you should specify (‘,’, ‘:’) to eliminate whitespace.

          If specified, default is a function that gets called for objects that can’t otherwise be serialized. It should return a JSON encodable version of the object or raise a TypeError.

          -
          -default(o)[source]
          +
          +default(o)[source]

          Implement this method in a subclass such that it returns a serializable object for o, or calls the base implementation (to raise a TypeError).

          @@ -439,14 +440,14 @@

          Submodules -
          -document(result)[source]
          +
          +document(result)[source]

          Build dict for MongoDB, expanding result keys as we go.

          -
          -format(result)[source]
          +
          +format(result)[source]

          Format a report from a result object.

          Returns
          @@ -459,15 +460,15 @@

          Submodules -
          -will_copy()[source]
          +
          +will_copy()[source]

          -
          -class DiffTextFormatter(meta, key=None)[source]
          +
          +class DiffTextFormatter(meta, key=None)[source]

          Bases: pymatgen.db.vv.report.DiffFormatter

          Format a plain-text diff report.

          Constructor.

          @@ -483,8 +484,8 @@

          Submodules -
          -format(result)[source]
          +
          +format(result)[source]

          Generate plain text report.

          Returns
          @@ -499,8 +500,8 @@

          Submodules -
          -class Emailer(sender='me@localhost', recipients=('you@remote.host'), subject='Report', server='localhost', port=None, **kwargs)[source]
          +
          +class Emailer(sender='me@localhost', recipients=('you@remote.host'), subject='Report', server='localhost', port=None, **kwargs)[source]

          Bases: pymatgen.db.vv.util.DoesLogging

          Send a report to an email recipient.

          Send reports as email.

          @@ -522,8 +523,8 @@

          Submodules -
          -send(text, fmt)[source]
          +
          +send(text, fmt)[source]

          Send the email message.

          Parameters
          @@ -541,74 +542,74 @@

          Submodules -
          -property subject
          +
          +
          +property subject

          -
          -class HTMLFormatter(line_sep='\n', id_column=0, css=None)[source]
          +
          +class HTMLFormatter(line_sep='\n', id_column=0, css=None)[source]

          Bases: object

          Format a report as HTML.

          -
          -format(report)[source]
          +
          +format(report)[source]
          -
          -class Header(title='')[source]
          +
          +class Header(title='')[source]

          Bases: object

          Base header class.

          -
          -add(key, value)[source]
          +
          +add(key, value)[source]
          -
          -as_dict()[source]
          +
          +as_dict()[source]
          -
          -get(key)[source]
          +
          +get(key)[source]
          -
          -class JSONFormatter(id_column=0, indent=2)[source]
          +
          +class JSONFormatter(id_column=0, indent=2)[source]

          Bases: object

          Format a report as JSON.

          -
          -format(report)[source]
          +
          +format(report)[source]
          -
          -class MarkdownFormatter(id_column=0)[source]
          +
          +class MarkdownFormatter(id_column=0)[source]

          Bases: object

          Format a report as markdown

          -
          -format(report)[source]
          +
          +format(report)[source]
          -
          -class Report(header)[source]
          +
          +class Report(header)[source]

          Bases: object

          Create blank report, with a header.

          @@ -617,38 +618,38 @@

          Submodules -
          -add_section(section)[source]
          +
          +add_section(section)[source]

          -
          -
          -property header
          +
          +
          +property header
          -
          -is_empty()[source]
          +
          +is_empty()[source]
          -
          -exception ReportBackupError[source]
          +
          +exception ReportBackupError[source]

          Bases: Exception

          -
          -class ReportHeader(title='')[source]
          +
          +class ReportHeader(title='')[source]

          Bases: pymatgen.db.vv.report.Header

          Header for entire report.

          -
          -class ReportJSONEncoder(*, skipkeys=False, ensure_ascii=True, check_circular=True, allow_nan=True, sort_keys=False, indent=None, separators=None, default=None)[source]
          +
          +class ReportJSONEncoder(*, skipkeys=False, ensure_ascii=True, check_circular=True, allow_nan=True, sort_keys=False, indent=None, separators=None, default=None)[source]

          Bases: pymatgen.db.util.MongoJSONEncoder

          Constructor for JSONEncoder, with sensible defaults.

          If skipkeys is false, then it is a TypeError to attempt @@ -673,15 +674,15 @@

          SubmodulesNone and +tuple. The default is (’, ‘, ‘: ‘) if indent is None and (‘,’, ‘: ‘) otherwise. To get the most compact JSON representation, you should specify (‘,’, ‘:’) to eliminate whitespace.

          If specified, default is a function that gets called for objects that can’t otherwise be serialized. It should return a JSON encodable version of the object or raise a TypeError.

          -
          -default(o)[source]
          +
          +default(o)[source]

          Implement this method in a subclass such that it returns a serializable object for o, or calls the base implementation (to raise a TypeError).

          @@ -703,8 +704,8 @@

          Submodules -
          -class ReportSection(header, body=None)[source]
          +
          +class ReportSection(header, body=None)[source]

          Bases: pymatgen.db.vv.report.Report

          Section within a report, with data.

          Create new report section, initialized with header and body.

          @@ -716,88 +717,88 @@

          Submodules -
          -property body
          +
          +
          +property body

          -
          -class SectionHeader(title='')[source]
          +
          +class SectionHeader(title='')[source]

          Bases: pymatgen.db.vv.report.Header

          Header for one section of a report.

          -
          -class Table(colnames)[source]
          +
          +class Table(colnames)[source]

          Bases: object

          Table of values.

          -
          -add(values)[source]
          +
          +add(values)[source]
          -
          -
          -property column_names
          +
          +
          +property column_names
          -
          -
          -property column_widths
          +
          +
          +property column_widths
          -
          -
          -property ncol
          +
          +
          +property ncol
          -
          -
          -property nrow
          +
          +
          +property nrow
          -
          -sortby(name_or_index)[source]
          +
          +sortby(name_or_index)[source]
          -
          -
          -property values
          +
          +
          +property values
          -
          -css_minify(s)[source]
          +
          +css_minify(s)[source]
          -

          -
          + +

          pymatgen.db.vv.util module

          Utility functions and classes for validation.

          -
          -class DoesLogging(name=None)[source]
          +
          +class DoesLogging(name=None)[source]

          Bases: object

          Mix-in class that creates the attribute ‘log’, setting its qualified name to the name of the module and class.

          -
          -class ElapsedTime[source]
          +
          +class ElapsedTime[source]

          Bases: object

          -
          -class JsonWalker(value_transform=None, dict_transform=None)[source]
          +
          +class JsonWalker(value_transform=None, dict_transform=None)[source]

          Bases: object

          Walk a dict, transforming. Used for JSON formatting.

          @@ -811,31 +812,31 @@

          Submodules -
          -static dict_expand(o)[source]
          +
          +static dict_expand(o)[source]

          Expand keys in a dict with ‘.’ in them into sub-dictionaries, e.g.

          {‘a.b.c’: ‘foo’} ==> {‘a’: {‘b’: {‘c’: ‘foo’}}}

          -
          -static value_json(o)[source]
          +
          +static value_json(o)[source]

          Apply as_json() method on object to get value, otherwise return object itself as the value.

          -
          -walk(o)[source]
          +
          +walk(o)[source]

          Walk a dict & transform.

          -
          -class Timing(name='event', elapsed=None, log=None, level=10, **kwargs)[source]
          +
          +class Timing(name='event', elapsed=None, log=None, level=10, **kwargs)[source]

          Bases: object

          Perform and report timings using the ‘with’ keyword.

          @@ -849,8 +850,8 @@

          Submodules -
          -class YamlConfig(option_strings, dest, nargs=None, const=None, default=None, type=None, choices=None, required=False, help=None, metavar=None)[source]
          +
          +class YamlConfig(option_strings, dest, nargs=None, const=None, default=None, type=None, choices=None, required=False, help=None, metavar=None)[source]

          Bases: argparse.Action

          Populate arguments with YAML file contents.

          @@ -860,8 +861,8 @@

          Submodules -
          -args_kvp_nodup(s)[source]
          +
          +args_kvp_nodup(s)[source]

          Parse argument string as key=value pairs separated by commas.

          Parameters
          @@ -880,8 +881,8 @@

          Submodules -
          -args_list(s)[source]
          +
          +args_list(s)[source]

          Parse argument string as list of values separated by commas.

          Parameters
          @@ -897,13 +898,13 @@

          Submodules -
          -letter_num(x, letter='A')[source]
          +
          +letter_num(x, letter='A')[source]

          -
          -total_size(o, handlers={}, verbose=False, count=False)[source]
          +
          +total_size(o, handlers={}, verbose=False, count=False)[source]

          Returns the approximate memory footprint an object and all of its contents.

          Automatically finds the contents of the following builtin containers and their subclasses: tuple, list, deque, dict, set and frozenset. @@ -917,13 +918,13 @@

          Submoduleshttp://code.activestate.com/recipes/577504/ (r3)

          -

          -
          + +

          pymatgen.db.vv.validate module

          Collection validator

          -
          -class ConstraintSpec(spec)[source]
          +
          +class ConstraintSpec(spec)[source]

          Bases: pymatgen.db.vv.util.DoesLogging

          Specification of a set of constraints for a collection.

          Create specification from a configuration.

          @@ -936,51 +937,51 @@

          Submodules -
          -CONSTRAINT_SECT = 'constraints'
          +
          +CONSTRAINT_SECT = 'constraints'

          -
          -FILTER_SECT = 'filter'
          +
          +FILTER_SECT = 'filter'
          -
          -SAMPLE_SECT = 'sample'
          +
          +SAMPLE_SECT = 'sample'
          -
          -class ConstraintSpecSection(fltr, constraints, sample)[source]
          +
          +class ConstraintSpecSection(fltr, constraints, sample)[source]

          Bases: object

          -
          -
          -property constraints
          +
          +
          +property constraints
          -
          -
          -property filters
          +
          +
          +property filters
          -
          -get_key()[source]
          +
          +get_key()[source]
          -
          -
          -property sampler
          +
          +
          +property sampler
          -
          -class ConstraintViolation(constraint, value, expected)[source]
          +
          +class ConstraintViolation(constraint, value, expected)[source]

          Bases: object

          A single constraint violation, with no metadata.

          Create new constraint violation

          @@ -989,37 +990,37 @@

          Submodules

          constraint (Constraint) – The constraint that was violated

          -
          -
          -property expected_value
          +
          +
          +property expected_value
          -
          -
          -property field
          +
          +
          +property field
          -
          -
          -property got_value
          +
          +
          +property got_value
          -
          -
          -property op
          +
          +
          +property op
          -
          -class ConstraintViolationGroup[source]
          +
          +class ConstraintViolationGroup[source]

          Bases: object

          A group of constraint violations with metadata.

          Create an empty object.

          -
          -add_violations(violations, record=None)[source]
          +
          +add_violations(violations, record=None)[source]

          Add constraint violations and associated record.

          Parameters
          @@ -1037,14 +1038,14 @@

          Submodules -
          -exception DBError[source]
          +
          +exception DBError[source]

          Bases: Exception

          -
          -class NullConstraintViolation[source]
          +
          +class NullConstraintViolation[source]

          Bases: pymatgen.db.vv.validate.ConstraintViolation

          Empty constraint violation, for when there are no constraints.

          Create new constraint violation

          @@ -1056,35 +1057,35 @@

          Submodules -
          -class ProgressMeter(num, fmt)[source]
          +
          +class ProgressMeter(num, fmt)[source]

          Bases: object

          Simple progress tracker

          -
          -
          -property count
          +
          +
          +property count
          -
          -set_subject(subj)[source]
          +
          +set_subject(subj)[source]
          -
          -update(*args)[source]
          +
          +update(*args)[source]

          -
          -class Projection[source]
          +
          +class Projection[source]

          Bases: object

          Fields on which to project the query results.

          -
          -add(field, op=None, val=None)[source]
          +
          +add(field, op=None, val=None)[source]

          Update report fields to include new one, if it doesn’t already.

          Parameters
          @@ -1100,8 +1101,8 @@

          Submodules -
          -to_mongo()[source]
          +
          +to_mongo()[source]

          Translate projection to MongoDB query form.

          Returns
          @@ -1116,8 +1117,8 @@

          Submodules -
          -class PythonMethod(text)[source]
          +
          +class PythonMethod(text)[source]

          Bases: object

          Encapsulate an external Python method that will be run on our target MongoDB collection to perform arbitrary types of validation.

          @@ -1128,19 +1129,19 @@

          Submodules -
          -BAD_CONSTRAINT_ERR = 'Invalid constraint (must be: @<method> [<param> ..])'
          +
          +BAD_CONSTRAINT_ERR = 'Invalid constraint (must be: @<method> [<param> ..])'

          -
          -CANNOT_COMBINE_ERR = 'Call to a Python method cannot be combined '
          +
          +CANNOT_COMBINE_ERR = 'Call to a Python method cannot be combined '

          with any other constraints

          -
          -classmethod constraint_is_method(text)[source]
          +
          +classmethod constraint_is_method(text)[source]

          Check from the text of the constraint whether it is a Python method, as opposed to a ‘normal’ constraint.

          @@ -1153,8 +1154,8 @@

          Submodules -
          -class Sampler(min_items=0, max_items=1000000000.0, p=1.0, distrib=1, **kw)[source]
          +
          +class Sampler(min_items=0, max_items=1000000000.0, p=1.0, distrib=1, **kw)[source]

          Bases: pymatgen.db.vv.util.DoesLogging

          Randomly sample a proportion of the full collection.

          Create new parameterized sampler.

          @@ -1172,28 +1173,28 @@

          Submodules -
          -DEFAULT_DIST = 1
          +
          +DEFAULT_DIST = 1

          -
          -DIST_CODES = {'uniform': 1}
          +
          +DIST_CODES = {'uniform': 1}
          -
          -DIST_RUNIF = 1
          +
          +DIST_RUNIF = 1
          -
          -
          -property is_empty
          +
          +
          +property is_empty
          -
          -sample(cursor)[source]
          +
          +sample(cursor)[source]

          Extract records randomly from the database. Continue until the target proportion of the items have been extracted, or until min_items if this is larger. @@ -1219,13 +1220,13 @@

          Submodules -
          -class Validator(max_violations=50, max_dberrors=10, aliases=None, add_exists=False)[source]
          +
          +class Validator(max_violations=50, max_dberrors=10, aliases=None, add_exists=False)[source]

          Bases: pymatgen.db.vv.util.DoesLogging

          Validate a collection.

          -
          -class SectionParts(cond, body, sampler, report_fields)[source]
          +
          +class SectionParts(cond, body, sampler, report_fields)[source]

          Bases: object

          Encapsulate the tuple of information for each section of filters, constraints, etc. within a collection.

          @@ -1243,19 +1244,19 @@

          Submodules -
          -num_violations()[source]
          +
          +num_violations()[source]

          -
          -set_aliases(new_value)[source]
          +
          +set_aliases(new_value)[source]

          Set aliases and wrap errors in ValueError

          -
          -set_progress(num)[source]
          +
          +set_progress(num)[source]

          Report progress every num bad records.

          Parameters
          @@ -1268,8 +1269,8 @@

          Submodules -
          -validate(coll, constraint_spec, subject='collection')[source]
          +
          +validate(coll, constraint_spec, subject='collection')[source]

          Validation of a collection. This is a generator that yields ConstraintViolationGroups.

          @@ -1295,15 +1296,15 @@

          Submodules -
          -exception ValidatorSyntaxError(target, desc)[source]
          +
          +exception ValidatorSyntaxError(target, desc)[source]

          Bases: Exception

          Syntax error in configuration of Validator

          -
          -mongo_get(rec, key, default=None)[source]
          +
          +mongo_get(rec, key, default=None)[source]

          Get value from dict using MongoDB dot-separated path semantics. For example:

          >>> assert mongo_get({'a': {'b': 1}, 'x': 2}, 'a.b') == 1
@@ -1328,11 +1329,11 @@ 
          Submodules
+

          +

          Module contents

          -
          -
          + +
          diff --git a/docs/pymatgen.html b/docs/pymatgen.html index 24153c2..9b2d348 100644 --- a/docs/pymatgen.html +++ b/docs/pymatgen.html @@ -4,11 +4,12 @@ - - pymatgen namespace — pymatgen-db 2021.5.13 documentation - - - + + + pymatgen namespace — pymatgen-db 2021.5.28 documentation + + + @@ -37,7 +38,7 @@

          Navigation

        • modules |
          • -
        • pymatgen-db 2021.5.13 documentation »
          • +
        • pymatgen-db 2021.5.28 documentation »
        • pymatgen namespace
          • @@ -47,9 +48,9 @@

          Navigation

          -
          +

          pymatgen namespace

          - @@ -54,6 +54,7 @@

          Navigation

          Search

          +

          @@ -61,19 +62,26 @@

          Search

          functionality.

          + +

          Searching for multiple words only shows matches that contain all words.

          + +
          + +
          +
          diff --git a/docs/searchindex.js b/docs/searchindex.js index 3b040ee..271ad18 100644 --- a/docs/searchindex.js +++ b/docs/searchindex.js @@ -1 +1 @@ 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--git a/pymatgen/db/__init__.py b/pymatgen/db/__init__.py index cd19acf..caa7459 100644 --- a/pymatgen/db/__init__.py +++ b/pymatgen/db/__init__.py @@ -11,7 +11,7 @@ __author__ = "Shyue Ping Ong, Dan Gunter" __date__ = "Jul 22 2017" -__version__ = "2021.5.13" +__version__ = "2021.5.28" from .query_engine import QueryEngine diff --git a/setup.py b/setup.py index 201150d..b7db749 100644 --- a/setup.py +++ b/setup.py @@ -13,7 +13,7 @@ setup( name="pymatgen-db", packages=find_namespace_packages(include=["pymatgen.*"]), - version="2021.5.13", + version="2021.5.28", setup_requires=["numpy"], install_requires=["pymatgen>=2022.0.3", "monty>=0.9.6", "pymongo>=2.8", "smoqe"], extras_require={ @@ -48,4 +48,4 @@ ], scripts=[os.path.join("scripts", f) for f in os.listdir("scripts") if not os.path.isdir(os.path.join("scripts", f))] -) +) \ No newline at end of file