Changeset f5ea10 for src/Graph/BoostGraphCreator.hpp

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.

File:

• src/Graph/BoostGraphCreator.hpp (modified) (1 diff)

src/Graph/BoostGraphCreator.hpp

@@ -90 +90 @@
       const predicate_t &_pred);
 
+  /** Creates the boost::graph from the defining graph6 string where the atom
+   * nodes map is simply the identity.
+   *
+   * \param _graph_string graph6 string defining the graph
+   */
+  void createFromGraph6String(
+      const std::string &_graph_string);
+
   /** Getter for the created graph.
    *