STORMM Source Documentation
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stormm::energy::CoordinateFrame Member List

This is the complete list of members for stormm::energy::CoordinateFrame, including all inherited members.

buildFromFile(const std::string &file_name_in, const CoordinateFileKind file_kind, int frame_number=0)stormm::energy::CoordinateFrame
buildFromFile(const TextFile &tf, const CoordinateFileKind file_kind, int frame_number=0) (defined in stormm::energy::CoordinateFrame)stormm::energy::CoordinateFrame
CoordinateFrame(int natom_in=0, UnitCellType unit_cell_in=UnitCellType::NONE, HybridFormat format_in=default_hpc_format)stormm::energy::CoordinateFrame
CoordinateFrame(int natom_in, UnitCellType unit_cell_in, const double *xcrd_in, const double *ycrd_in, const double *zcrd_in, const double *umat_in=nullptr, const double *invu_in=nullptr, const double *boxdim_in=nullptr, HybridFormat format_in=default_hpc_format) (defined in stormm::energy::CoordinateFrame)stormm::energy::CoordinateFrame
CoordinateFrame(const std::string &file_name_in, CoordinateFileKind file_kind=CoordinateFileKind::UNKNOWN, int frame_number_in=0, HybridFormat format_in=default_hpc_format) (defined in stormm::energy::CoordinateFrame)stormm::energy::CoordinateFrame
CoordinateFrame(const TextFile &tf, CoordinateFileKind file_kind=CoordinateFileKind::UNKNOWN, int frame_number_in=0, HybridFormat format_in=default_hpc_format) (defined in stormm::energy::CoordinateFrame)stormm::energy::CoordinateFrame
CoordinateFrame(const PhaseSpace *ps) (defined in stormm::energy::CoordinateFrame)stormm::energy::CoordinateFrame
CoordinateFrame(const PhaseSpace &ps) (defined in stormm::energy::CoordinateFrame)stormm::energy::CoordinateFrame
CoordinateFrame(const CoordinateFrame &original)stormm::energy::CoordinateFrame
CoordinateFrame(const CoordinateFrame &original, HybridFormat format_in) (defined in stormm::energy::CoordinateFrame)stormm::energy::CoordinateFrame
CoordinateFrame(CoordinateFrame &&original)stormm::energy::CoordinateFrame
data(HybridTargetLevel tier=HybridTargetLevel::HOST) conststormm::energy::CoordinateFrame
data(HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::energy::CoordinateFrame)stormm::energy::CoordinateFrame
exportToFile(const std::string &file_name, CoordinateFileKind output_kind=CoordinateFileKind::AMBER_CRD, PrintSituation expectation=PrintSituation::UNKNOWN, HybridTargetLevel tier=HybridTargetLevel::HOST) conststormm::energy::CoordinateFrame
fill(const T *xcrd, const T *ycrd, const T *zcrd, int scale_bits=0, const double *box_dims=nullptr)stormm::energy::CoordinateFrame
fill(const std::vector< T > &xcrd, const std::vector< T > &ycrd, const std::vector< T > &zcrd, int scale_bits=0, const std::vector< double > &box_dims={}) (defined in stormm::energy::CoordinateFrame)stormm::energy::CoordinateFrame
getAtomCount() conststormm::energy::CoordinateFrame
getBoxDimensions(HybridTargetLevel tier=HybridTargetLevel::HOST) conststormm::energy::CoordinateFrame
getBoxDimensionsHandle() conststormm::energy::CoordinateFrame
getBoxDimensionsHandle() (defined in stormm::energy::CoordinateFrame)stormm::energy::CoordinateFrame
getBoxSpaceTransform(HybridTargetLevel tier=HybridTargetLevel::HOST) conststormm::energy::CoordinateFrame
getBoxTransformHandle() conststormm::energy::CoordinateFrame
getBoxTransformHandle() (defined in stormm::energy::CoordinateFrame)stormm::energy::CoordinateFrame
getCoordinateHandle(CartesianDimension dim) conststormm::energy::CoordinateFrame
getCoordinateHandle(CartesianDimension dim) (defined in stormm::energy::CoordinateFrame)stormm::energy::CoordinateFrame
getFileName() conststormm::energy::CoordinateFrame
getFormat() conststormm::energy::CoordinateFrame
getFrameNumber() conststormm::energy::CoordinateFrame
getInterlacedCoordinates(HybridTargetLevel tier=HybridTargetLevel::HOST) conststormm::energy::CoordinateFrame
getInterlacedCoordinates(int low_index, int high_index, HybridTargetLevel tier=HybridTargetLevel::HOST) const (defined in stormm::energy::CoordinateFrame)stormm::energy::CoordinateFrame
getInverseTransform(HybridTargetLevel tier=HybridTargetLevel::HOST) conststormm::energy::CoordinateFrame
getInverseTransformHandle() conststormm::energy::CoordinateFrame
getInverseTransformHandle() (defined in stormm::energy::CoordinateFrame)stormm::energy::CoordinateFrame
getSelfPointer() conststormm::energy::CoordinateFrame
getStorageHandle() conststormm::energy::CoordinateFrame
getStorageHandle() (defined in stormm::energy::CoordinateFrame)stormm::energy::CoordinateFrame
getUnitCellType() conststormm::energy::CoordinateFrame
operator=(const CoordinateFrame &other)stormm::energy::CoordinateFrame
operator=(CoordinateFrame &&other)stormm::energy::CoordinateFrame
setFrameNumber(int frame_number_in)stormm::energy::CoordinateFrame