From 1cc4c179822fe151b9017ba579c5a87ffed90d82 Mon Sep 17 00:00:00 2001 From: Toon Verstraelen Date: Thu, 19 Jan 2017 20:19:37 +0100 Subject: [PATCH] Fix some empty line conventions pep8 --- yaff/pes/generator.py | 10 ++++++++++ 1 file changed, 10 insertions(+) diff --git a/yaff/pes/generator.py b/yaff/pes/generator.py index c68f4514..efd82868 100644 --- a/yaff/pes/generator.py +++ b/yaff/pes/generator.py @@ -524,6 +524,7 @@ def process_pars(self, pardef, conversions, nffatype, par_info=None): par_table[key] = [(pars,)] return par_table + class PolySixGenerator(ValenceGenerator): nffatype = 2 prefix = 'POLYSIX' @@ -594,6 +595,7 @@ def get_vterm(self, pars, indexes): args = pars + (self.ICClass(*indexes),) return self.VClass(*args, sign=1.0) + class TorsionAngleHarmGenerator(ValenceGenerator): nffatype = 4 par_info = [('A', float), ('PHI0', float)] @@ -755,6 +757,7 @@ def iter_indexes(self, system): if len(neighbours)==3: yield neighbours[0],neighbours[1],neighbours[2],atom + class OopCosGenerator(ValenceGenerator): nffatype = 4 par_info = [('A', float)] @@ -783,6 +786,7 @@ def get_vterm(self, pars, indexes): ic = OopCos(*indexes) return Chebychev1(pars[0], ic) + class OopMeanCosGenerator(ValenceGenerator): nffatype = 4 par_info = [('A', float)] @@ -811,6 +815,7 @@ def get_vterm(self, pars, indexes): ic = OopMeanCos(*indexes) return Chebychev1(pars[0], ic) + class OopDistGenerator(ValenceGenerator): nffatype = 4 par_info = [('K', float), ('D0', float)] @@ -835,6 +840,7 @@ def iter_indexes(self, system): if len(neighbours)==3: yield neighbours[0],neighbours[1],neighbours[2],atom + class SquareOopDistGenerator(ValenceGenerator): nffatype = 4 par_info = [('K', float), ('D0', float)] @@ -859,6 +865,7 @@ def iter_indexes(self, system): if len(neighbours)==3: yield neighbours[0],neighbours[1],neighbours[2],atom + class ImproperGenerator(ValenceGenerator): nffatype = 4 par_info = [('M', int), ('A', float), ('PHI0', float)] @@ -882,6 +889,7 @@ def iter_indexes(self, system): for i1, i2, i3 in permutations([1,2,3]): yield i1, atom, i2, i3 + class ValenceCrossGenerator(Generator): '''All generators for cross valence terms derive from this class. @@ -993,6 +1001,7 @@ def get_indexes2(self, indexes): '''Get the indexes for the third internal coordinate from the whole''' raise NotImplementedError + class CrossGenerator(ValenceCrossGenerator): prefix = 'CROSS' par_info = [('KSS', float), ('KBS0', float), ('KBS1', float), ('R0', float), ('R1', float), ('THETA0', float)] @@ -1019,6 +1028,7 @@ def get_indexes1(self, indexes): def get_indexes2(self, indexes): return indexes + class NonbondedGenerator(Generator): '''All generators for the non-bonding interactions derive from this class