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PreprocessingAtomTypes Member List

This is the complete list of members for PreprocessingAtomTypes, including all inherited members.

addType(const t_atom &a, const std::string &name, const InteractionOfType &nb, int bondAtomType, int atomNumber)PreprocessingAtomTypes
atomChargeFromAtomType(int nt) const PreprocessingAtomTypes
atomMassFromAtomType(int nt) const PreprocessingAtomTypes
atomNameFromAtomType(int nt) const PreprocessingAtomTypes
atomNonBondedParamFromAtomType(int nt, int param) const PreprocessingAtomTypes
atomNumberFromAtomType(int nt) const PreprocessingAtomTypes
atomParticleTypeFromAtomType(int nt) const PreprocessingAtomTypes
atomTypeFromName(const std::string &str) const PreprocessingAtomTypes
bondAtomTypeFromAtomType(int nt) const PreprocessingAtomTypes
isSet(int nt) const PreprocessingAtomTypes
operator=(PreprocessingAtomTypes &&old) noexceptPreprocessingAtomTypes
PreprocessingAtomTypes() (defined in PreprocessingAtomTypes)PreprocessingAtomTypes
PreprocessingAtomTypes(PreprocessingAtomTypes &&old) noexceptPreprocessingAtomTypes
renumberTypes(gmx::ArrayRef< InteractionsOfType > plist, gmx_mtop_t *mtop, int *wallAtomType, bool verbose)PreprocessingAtomTypes
setType(int nt, const t_atom &a, const std::string &name, const InteractionOfType &nb, int bondAtomType, int atomNumber)PreprocessingAtomTypes
size() const PreprocessingAtomTypes
~PreprocessingAtomTypes() (defined in PreprocessingAtomTypes)PreprocessingAtomTypes