AddBondedInteraction(Interaction *ic) | votca::csg::Topology | |
autoDetectBoxType(const Eigen::Matrix3d &box) const | votca::csg::Topology | protected |
bc_ | votca::csg::Topology | protected |
BCShortestConnection(const Eigen::Vector3d &r_i, const Eigen::Vector3d &r_j) const | votca::csg::Topology | |
BeadCount() const | votca::csg::Topology | inline |
Beads() | votca::csg::Topology | inline |
beads_ | votca::csg::Topology | protected |
BeadTypeExist(std::string type) const | votca::csg::Topology | |
beadtypes_ | votca::csg::Topology | protected |
BondedInteractions() | votca::csg::Topology | inline |
BondedInteractions() const | votca::csg::Topology | inline |
BoxVolume() const | votca::csg::Topology | |
CheckMoleculeNaming(void) | votca::csg::Topology | |
Cleanup() | votca::csg::Topology | |
ClearMoleculeList() | votca::csg::Topology | inline |
CopyTopologyData(Topology *top) | votca::csg::Topology | |
CreateBead(Bead::Symmetry symmetry, std::string name, std::string type, Index resnr, double m, double q) | votca::csg::Topology | inline |
CreateMolecule(std::string name) | votca::csg::Topology | inline |
CreateMoleculesByRange(std::string name, Index first, Index nbeads, Index nmolecules) | votca::csg::Topology | |
CreateResidue(std::string name) | votca::csg::Topology | inline |
CreateResidue(std::string name, Index id) | votca::csg::Topology | inline |
exclusions_ | votca::csg::Topology | protected |
getBead(const Index i) | votca::csg::Topology | inline |
getBead(const Index i) const | votca::csg::Topology | inline |
getBeadTypeId(std::string type) const | votca::csg::Topology | |
getBoundary() const | votca::csg::Topology | inline |
getBox() const | votca::csg::Topology | inline |
getBoxType() const | votca::csg::Topology | inline |
getDist(Index bead1, Index bead2) const | votca::csg::Topology | |
getExclusions() | votca::csg::Topology | inline |
getExclusions() const | votca::csg::Topology | inline |
getMolecule(const Index i) | votca::csg::Topology | inline |
getMolecule(const Index i) const | votca::csg::Topology | inline |
getParticleGroup() const | votca::csg::Topology | inline |
getResidue(const Index i) | votca::csg::Topology | inline |
getResidue(const Index i) const | votca::csg::Topology | inline |
getStep() const | votca::csg::Topology | inline |
getTime() const | votca::csg::Topology | inline |
has_force_ | votca::csg::Topology | protected |
has_vel_ | votca::csg::Topology | protected |
HasForce() | votca::csg::Topology | inline |
HasVel() | votca::csg::Topology | inline |
InsertExclusion(Bead *bead1, iteratable &l) | votca::csg::Topology | inline |
interaction_groups_ | votca::csg::Topology | protected |
interactions_ | votca::csg::Topology | protected |
interactions_by_group_ | votca::csg::Topology | protected |
InteractionsInGroup(const std::string &group) | votca::csg::Topology | |
MoleculeByIndex(Index index) | votca::csg::Topology | inline |
MoleculeCount() const | votca::csg::Topology | inline |
Molecules() | votca::csg::Topology | inline |
Molecules() const | votca::csg::Topology | inline |
molecules_ | votca::csg::Topology | protected |
particle_group_ | votca::csg::Topology | protected |
RebuildExclusions() | votca::csg::Topology | |
RegisterBeadType(std::string type) | votca::csg::Topology | |
RenameBeadType(std::string name, std::string newname) | votca::csg::Topology | |
RenameMolecules(std::string range, std::string name) | votca::csg::Topology | |
ResidueCount() const | votca::csg::Topology | inline |
Residues() | votca::csg::Topology | inline |
Residues() const | votca::csg::Topology | inline |
residues_ | votca::csg::Topology | protected |
SetBeadTypeMass(std::string name, double value) | votca::csg::Topology | |
setBox(const Eigen::Matrix3d &box, BoundaryCondition::eBoxtype boxtype=BoundaryCondition::typeAuto) | votca::csg::Topology | inline |
SetHasForce(const bool v) | votca::csg::Topology | inline |
SetHasVel(const bool v) | votca::csg::Topology | inline |
setParticleGroup(std::string particle_group) | votca::csg::Topology | inline |
setStep(Index s) | votca::csg::Topology | inline |
setTime(double t) | votca::csg::Topology | inline |
ShortestBoxSize() const | votca::csg::Topology | |
step_ | votca::csg::Topology | protected |
time_ | votca::csg::Topology | protected |
Topology() | votca::csg::Topology | inline |
~Topology() | votca::csg::Topology | |