fix(pppdb): update chi.xlsx, + minor fixes (#31)

* fix(pppdb): update chi.xslx with valid BigSMILES

Single quotes where removed.

* fix(pppdb): ambiguous log

An "other" could be logged as "solvent".

* feat(pppdb): add FetchPubChemResult type

scripts/typescript/src/pppdb/pppdb-loader.ts

@@ -13,6 +13,13 @@ import { Other } from "./types/sheets/others";
 import { fetch } from "cross-fetch";
 import make_edge = CriptGraph.make_edge_uuid;
 
+type FetchPubChemResult = {
+ chem_formula?: string;
+ chemical_id?: string;
+ inchi?: string;
+ smiles?: string;
+}
+
 export type PPPDBJSON = {
  // Nodes that must be uploaded prior to the project
  shared: {
@@ -592,7 +599,7 @@ export class PPPDBLoader {
  async assign_solvents_or_other_fields(material: IMaterial, solvent_or_other: Solvent | Other) {
  const pubchem_cid = solvent_or_other["PubChem CID"];
  if (!pubchem_cid || pubchem_cid == '') {
- this.logger.warning(`pubchem_cid is expected for the solvent (row: ${solvent_or_other?._row_index} in solvents`);
+ this.logger.warning(`pubchem_cid is expected for the solvent or other: ${JSON.stringify(solvent_or_other)}`);
  } else {
  const pubchem_metadata = await this.fetch_pubchem_by_cid(pubchem_cid);
  material.chemical_id = pubchem_metadata.chemical_id;
@@ -904,22 +911,12 @@ export class PPPDBLoader {
  this.log_set(LogLevel.DEBUG, new Set(materials.map( m => m.name) ), 'Adding material(s) to the project');
  }
 
- /**
+  /**
  * Fetch some metadata from PubChem using a given cid
  */
- async fetch_pubchem_by_cid(cid: string): Promise<{
- chem_formula?: string;
- chemical_id?: string;
- inchi?: string;
- smiles?: string;
- } > {
-
- let result: {
- chem_formula?: string;
- inchi?: string;
- smiles?: string;
- chemical_id?: string;
- } = {};
+ async fetch_pubchem_by_cid(cid: string): Promise<FetchPubChemResult> {
+
+ let result: FetchPubChemResult = {};
 
  // First get the properties using the "/property" method
  try {