# File: HISTORY.txt
#
 5-Nov-2019 - V0.11 Created module with preliminary dependency cache management
18-Jan-2020 - V0.12 Preliminary APIs for OpenEye TK, RDKIT, OpenBabel/Pybel, and CACTVS.
25-Jan-2020 - V0.13 Add CactvsMoleculeFactory() and test methods.
 7-Mar-2020 - V0.14 Add OeSearchMoleculeProvider(), ChemCompSearchIndexProvider()
10-Mar-2020 - V0.15 Add CI pipeline configuration.
11-Mar-2020 - V0.16 Update documentation and path defaults for concatenated component dictionaries
12-Mar-2020 - V0.17 Add ChemCompSearchWrapper() and associated tests
13-Mar-2020 - V0.18 Add formula matching method in ChemCompSearchIndexProvider()
13-Mar-2020 - V0.19 Make formula result MatchResults()
14-Mar-2020 - V0.20 Add formula parser in module MolecularFormula()
16-Mar-2020 - V0.21 Adjust formula range search filter.
16-Mar-2020 - V0.22 Simplify joint fingerprint and ssSearch -
16-Mar-2020 - V0.23 Suppress logging of formula results
27-Mar-2020 - V0.24 Adjust atom and bond stereo depiction avoid display undefined features
 2-Apr-2020 - V0.25 Adjustments to improve labeling of large structures and include W/H stereo
10-Apr-2020 - V0.26 Adjustments for default substructure search constraints and build defaults
16-Apr-2020 - V0.27 Return screening fpScores with substructure search results - adjustments in depiction resolution
16-May-2020 - V0.28 Revise search index unique identifiers, adjustments for refine aligned depictions, add ChemCompDepictWrapper()
16-May-2020 - V0.29 Asign substructure name in mol2* files
17-May-2020 - V0.30 Adjust labeling in search index.
 3-Jun-2020 - V0.31 Add getIndexFilePath() methods to each index provider class.
 9-Jun-2020 - V0.32 Additional ChemCompSearchWrapper() methods to manage dependencies
10-Jun-2020 - V0.33 Allow file name adjustments to stash and recover methods and further suppress logging in quietMode
11-Jun-2020 - V0.34 Maintain the consistent cache behavior
11-Jun-2020 - V0.35 Allow cache reuse when rebuilding dependencies
27-Jun-2020 - V0.36 Unify cache management in search and depict wrapper classes
28-Jun-2020 - V0.37 Adding a fallback for missing depict config file
 1-Jul-2020 - V0.38 Adjust match option names.
 1-Jul-2020 - V0.39 Avoid exhaustive ss search for negative pre-filter results
20-Aug-2020 - V0.40 Update dependencies
29-Sep-2020 - V0.41 Update dependencies
21-Oct-2020 - V0.42 Separate substructure search in a new module, adjustments for latest black formatting
23-Oct-2020 - V0.43 Integrate new substructure search with ChemCompSearchWrapper()
10-Dec-2020 - V0.45 In progress update to py39, add toMolFile() to ChemCompDepictWrapper(), upversion
15-Dec-2020 - V0.47 Make the build type options adjustable in OeMoleculeFactory.buildRelated(), add tests, upversion
18-Dec-2020 - V0.48 Corrections in fileToMols() and stringToMols(), and add OeMcssSearchUtils() and tests
18-Jan-2021 - V0.49 Add module OeChemCompUtils() and tests, and update dependencies
18-Jan-2021 - V0.50 Reorder chem_comp_atom data items in OeChemCompUtils()
26-Jan-2021 - V0.51 Add module ChemCompAlignUtils() and update dependencies
27-Jan-2021 - V0.52 Adjustments to error handling in OeSearchMoleculeProvider()