STORMM Source Documentation
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stormm::chemistry::AtomRank Member List

This is the complete list of members for stormm::chemistry::AtomRank, including all inherited members.

AtomRank(const AtomGraph *ag_in=nullptr)stormm::chemistry::AtomRank
AtomRank(const AtomGraph *ag_in, const std::vector< double > &formal_charges, const std::vector< double > &free_electrons, const std::vector< ullint > &ring_inclusion, const std::vector< ChiralOrientation > &chiralities, std::vector< int > *a_idx_tree, std::vector< int > *b_idx_tree, std::vector< int > *a_zn_tree, std::vector< int > *b_zn_tree, std::vector< double > *a_fc_tree, std::vector< double > *b_fc_tree, std::vector< double > *a_fe_tree, std::vector< double > *b_fe_tree, std::vector< ullint > *a_ri_tree, std::vector< ullint > *b_ri_tree, std::vector< ChiralOrientation > *a_ch_tree, std::vector< ChiralOrientation > *b_ch_tree, std::vector< int > *a_coverage, std::vector< int > *b_coverage, int low_molecule_index=0, int high_molecule_index=-1) (defined in stormm::chemistry::AtomRank)stormm::chemistry::AtomRank
AtomRank(const AtomGraph &ag_in, const std::vector< double > &formal_charges, const std::vector< double > &free_electrons, const std::vector< ullint > &ring_inclusion, const std::vector< ChiralOrientation > &chiralities, int low_molecule_index=0, int high_molecule_index=-1) (defined in stormm::chemistry::AtomRank)stormm::chemistry::AtomRank
AtomRank(const AtomGraph *ag_in, const ChemicalFeatures &chemfe, int low_molecule_index=0, int high_molecule_index=-1) (defined in stormm::chemistry::AtomRank)stormm::chemistry::AtomRank
AtomRank(const AtomGraph &ag_in, const ChemicalFeatures &chemfe, int low_molecule_index=0, int high_molecule_index=-1) (defined in stormm::chemistry::AtomRank)stormm::chemistry::AtomRank
getAtomsWithRank(const int rank_value) conststormm::chemistry::AtomRank
getRank(int atom_index) const (defined in stormm::chemistry::AtomRank)stormm::chemistry::AtomRank
getRankPartners(const int atom_index) conststormm::chemistry::AtomRank
getRanks() conststormm::chemistry::AtomRank
getRanks(int low_index, int high_index) const (defined in stormm::chemistry::AtomRank)stormm::chemistry::AtomRank