Changeset f5ea10 for src/Actions


Ignore:
Timestamp:
Jun 22, 2018, 7:26:09 AM (7 years ago)
Author:
Frederik Heber <frederik.heber@…>
Branches:
Candidate_v1.6.1, ChemicalSpaceEvaluator
Children:
99c705
Parents:
8d56a6
git-author:
Frederik Heber <frederik.heber@…> (09/26/17 22:30:01)
git-committer:
Frederik Heber <frederik.heber@…> (06/22/18 07:26:09)
Message:

Added Graph6Reader, extended BoostGraphCreator, added ChemicalSpaceEvaluatorAction.

  • added visible generateAllInducedSubgraphs to Extractors.
  • TESTS: due to new option "graph6" containing a digit we needed to modify moltest_check.py to also scan for digits and not just letters.
  • DOCU: Added evaluate-chemical-space to userguide.
Location:
src/Actions
Files:
3 added
2 edited

Legend:

Unmodified
Added
Removed

  • src/Actions/GlobalListOfActions.hpp

    r8d56a6 rf5ea10  
    7575  (GeometryPositionToVector) \
    7676  (GeometryRemove) \
     77  (GraphChemicalSpaceEvaluator) \
    7778  (GraphUpdateMolecules) \
    7879  (GraphCorrectBondDegree) \

  • src/Actions/Makefile.am

    r8d56a6 rf5ea10  
    312312
    313313GRAPHACTIONSOURCE = \
     314  Actions/GraphAction/ChemicalSpaceEvaluatorAction.cpp \
    314315  Actions/GraphAction/CorrectBondDegreeAction.cpp \
    315316  Actions/GraphAction/CreateAdjacencyAction.cpp \
    … …  
    319320  Actions/GraphAction/UpdateMoleculesAction.cpp
    320321GRAPHACTIONHEADER = \
     322  Actions/GraphAction/ChemicalSpaceEvaluatorAction.hpp \
    321323  Actions/GraphAction/CorrectBondDegreeAction.hpp \
    322324  Actions/GraphAction/CreateAdjacencyAction.hpp \
    … …  
    326328  Actions/GraphAction/UpdateMoleculesAction.hpp
    327329GRAPHACTIONDEFS = \
     330  Actions/GraphAction/ChemicalSpaceEvaluatorAction.def \
    328331  Actions/GraphAction/CorrectBondDegreeAction.def \
    329332  Actions/GraphAction/CreateAdjacencyAction.def \
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