Chemical Data Processing Library C++ API - Version 1.1.1
CDPL::ForceField::MMFF94TorsionParameterTable Member List

This is the complete list of members for CDPL::ForceField::MMFF94TorsionParameterTable, including all inherited members.

addEntry(unsigned int tor_type_idx, unsigned int term_atom1_type, unsigned int ctr_atom1_type, unsigned int ctr_atom2_type, unsigned int term_atom2_type, double tor_param1, double tor_param2, double tor_param3)CDPL::ForceField::MMFF94TorsionParameterTable
begin() constCDPL::ForceField::MMFF94TorsionParameterTable
begin()CDPL::ForceField::MMFF94TorsionParameterTable
clear()CDPL::ForceField::MMFF94TorsionParameterTable
ConstEntryIterator typedefCDPL::ForceField::MMFF94TorsionParameterTable
end() constCDPL::ForceField::MMFF94TorsionParameterTable
end()CDPL::ForceField::MMFF94TorsionParameterTable
EntryIterator typedefCDPL::ForceField::MMFF94TorsionParameterTable
get(unsigned int param_set)CDPL::ForceField::MMFF94TorsionParameterTablestatic
getEntriesBegin() constCDPL::ForceField::MMFF94TorsionParameterTable
getEntriesBegin()CDPL::ForceField::MMFF94TorsionParameterTable
getEntriesEnd() constCDPL::ForceField::MMFF94TorsionParameterTable
getEntriesEnd()CDPL::ForceField::MMFF94TorsionParameterTable
getEntry(unsigned int tor_type_idx, unsigned int term_atom1_type, unsigned int ctr_atom1_type, unsigned int ctr_atom2_type, unsigned int term_atom2_type) constCDPL::ForceField::MMFF94TorsionParameterTable
getNumEntries() constCDPL::ForceField::MMFF94TorsionParameterTable
load(std::istream &is)CDPL::ForceField::MMFF94TorsionParameterTable
loadDefaults(unsigned int param_set)CDPL::ForceField::MMFF94TorsionParameterTable
MMFF94TorsionParameterTable()CDPL::ForceField::MMFF94TorsionParameterTable
removeEntry(unsigned int tor_type_idx, unsigned int term_atom1_type, unsigned int ctr_atom1_type, unsigned int ctr_atom2_type, unsigned int term_atom2_type)CDPL::ForceField::MMFF94TorsionParameterTable
removeEntry(const EntryIterator &it)CDPL::ForceField::MMFF94TorsionParameterTable
set(const SharedPointer &table, unsigned int param_set)CDPL::ForceField::MMFF94TorsionParameterTablestatic
SharedPointer typedefCDPL::ForceField::MMFF94TorsionParameterTable