Scine::Swoose  2.1.0
This is the SCINE module Swoose.
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Scine::MolecularMechanics::GaffParameters Member List

This is the complete list of members for Scine::MolecularMechanics::GaffParameters, including all inherited members.

addAngle(AngleType angleType, AngleParameters angleParameters)Scine::MolecularMechanics::MMParametersvirtual
addBond(BondType bondType, BondParameters bondParameters)Scine::MolecularMechanics::MMParametersvirtual
addDihedral(DihedralType dihedralType, DihedralParameters dihedralParameters) (defined in Scine::MolecularMechanics::GaffParameters)Scine::MolecularMechanics::GaffParameters
addImproperDihedral(ImproperDihedralType improperDihedralType, DihedralParameters improperDihedralParameters) (defined in Scine::MolecularMechanics::GaffParameters)Scine::MolecularMechanics::GaffParameters
addLennardJones(std::string atomType, LennardJonesParameters lennardJonesParameters) (defined in Scine::MolecularMechanics::GaffParameters)Scine::MolecularMechanics::GaffParameters
angles_ (defined in Scine::MolecularMechanics::MMParameters)Scine::MolecularMechanics::MMParametersprotected
bonds_ (defined in Scine::MolecularMechanics::MMParameters)Scine::MolecularMechanics::MMParametersprotected
empty()Scine::MolecularMechanics::GaffParameters
getMMAngle(std::string t1, std::string t2, std::string t3) const Scine::MolecularMechanics::MMParametersvirtual
getMMBond(std::string t1, std::string t2) const Scine::MolecularMechanics::MMParametersvirtual
getMMDihedrals(std::string t1, std::string t2, std::string t3, std::string t4) const Scine::MolecularMechanics::GaffParameters
getMMImproperDihedrals(std::string central, std::string t2, std::string t3, std::string t4) const Scine::MolecularMechanics::GaffParameters
getMMLennardJones(const std::string &t1, const std::string &t2, double scalingFactor) const Scine::MolecularMechanics::GaffParameters