stormm::synthesis::PhaseSpace Member List
This is the complete list of members for stormm::synthesis::PhaseSpace, including all inherited members.
| buildFromFile(const std::string &file_name_in, const CoordinateFileKind file_kind=CoordinateFileKind::UNKNOWN, int frame_number=0) | stormm::synthesis::PhaseSpace | |
| data(HybridTargetLevel tier=HybridTargetLevel::HOST) const | stormm::synthesis::PhaseSpace | |
| data(CoordinateCycle orientation, HybridTargetLevel tier=HybridTargetLevel::HOST) const (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| data(HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| data(CoordinateCycle orientation, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| exportToFile(const std::string &file_name, double current_time=0.0, TrajectoryKind traj_kind=TrajectoryKind::POSITIONS, CoordinateFileKind output_kind=CoordinateFileKind::AMBER_INPCRD, PrintSituation expectation=PrintSituation::UNKNOWN) const | stormm::synthesis::PhaseSpace | |
| fill(const T *xcrd, const T *ycrd, const T *zcrd, TrajectoryKind kind=TrajectoryKind::POSITIONS, CoordinateCycle cycle_in=CoordinateCycle::WHITE, int scale_bits=0, const double *box_dims=nullptr) | stormm::synthesis::PhaseSpace | |
| fill(const std::vector< T > &xcrd, const std::vector< T > &ycrd, const std::vector< T > &zcrd, TrajectoryKind kind=TrajectoryKind::POSITIONS, CoordinateCycle cycle_in=CoordinateCycle::WHITE, int scale_bits=0, const std::vector< double > &box_dims={}) (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| getAtomCount() const | stormm::synthesis::PhaseSpace | |
| getBoxDimensionsHandle(CoordinateCycle orientation) const | stormm::synthesis::PhaseSpace | |
| getBoxDimensionsHandle() const (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| getBoxDimensionsHandle(CoordinateCycle orientation) (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| getBoxDimensionsHandle() (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| getBoxSizePointer(CoordinateCycle orientation, HybridTargetLevel tier=HybridTargetLevel::HOST) const | stormm::synthesis::PhaseSpace | |
| getBoxSizePointer(CoordinateCycle orientation, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| getBoxSizePointer(HybridTargetLevel tier=HybridTargetLevel::HOST) const (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| getBoxSizePointer(HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| getBoxSpaceTransform(CoordinateCycle orientation, HybridTargetLevel tier=HybridTargetLevel::HOST) const | stormm::synthesis::PhaseSpace | |
| getBoxSpaceTransform(HybridTargetLevel tier=HybridTargetLevel::HOST) const (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| getBoxSpaceTransformPointer(CoordinateCycle orientation, HybridTargetLevel tier=HybridTargetLevel::HOST) const | stormm::synthesis::PhaseSpace | |
| getBoxSpaceTransformPointer(CoordinateCycle orientation, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| getBoxSpaceTransformPointer(HybridTargetLevel tier=HybridTargetLevel::HOST) const (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| getBoxSpaceTransformPointer(HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| getBoxTransformHandle(CoordinateCycle orientation) const | stormm::synthesis::PhaseSpace | |
| getBoxTransformHandle() const (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| getBoxTransformHandle(CoordinateCycle orientation) (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| getBoxTransformHandle() (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| getCoordinateHandle(CartesianDimension dim, TrajectoryKind kind, CoordinateCycle orientation) const | stormm::synthesis::PhaseSpace | |
| getCoordinateHandle(CartesianDimension dim, TrajectoryKind kind=TrajectoryKind::POSITIONS) const (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| getCoordinateHandle(CartesianDimension dim, TrajectoryKind kind, CoordinateCycle orientation) (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| getCoordinateHandle(CartesianDimension dim, TrajectoryKind kind=TrajectoryKind::POSITIONS) (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| getCoordinatePointer(CartesianDimension dim, TrajectoryKind kind, CoordinateCycle orientation, HybridTargetLevel tier=HybridTargetLevel::HOST) const | stormm::synthesis::PhaseSpace | |
| getCoordinatePointer(CartesianDimension dim, TrajectoryKind kind, CoordinateCycle orientation, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| getCoordinatePointer(CartesianDimension dim, TrajectoryKind kind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) const (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| getCoordinatePointer(CartesianDimension dim, TrajectoryKind kind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| getCoordinatePointer(CartesianDimension dim, CoordinateCycle orientation, HybridTargetLevel tier=HybridTargetLevel::HOST) const (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| getCoordinatePointer(CartesianDimension dim, CoordinateCycle orientation, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| getCyclePosition() const | stormm::synthesis::PhaseSpace | |
| getFileName() const | stormm::synthesis::PhaseSpace | |
| getFormat() const | stormm::synthesis::PhaseSpace | |
| getInterlacedCoordinates(TrajectoryKind kind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) const | stormm::synthesis::PhaseSpace | |
| getInterlacedCoordinates(CoordinateCycle orientation, TrajectoryKind kind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) const (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| getInterlacedCoordinates(int low_index, int high_index, TrajectoryKind kind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) const (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| getInterlacedCoordinates(int low_index, int high_index, CoordinateCycle orientation, TrajectoryKind kind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) const (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| getInverseTransform(CoordinateCycle orientation, HybridTargetLevel tier=HybridTargetLevel::HOST) const | stormm::synthesis::PhaseSpace | |
| getInverseTransform(HybridTargetLevel tier=HybridTargetLevel::HOST) const (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| getInverseTransformHandle(CoordinateCycle orientation) const | stormm::synthesis::PhaseSpace | |
| getInverseTransformHandle() const (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| getInverseTransformHandle(CoordinateCycle orientation) (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| getInverseTransformHandle() (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| getInverseTransformPointer(CoordinateCycle orientation, HybridTargetLevel tier=HybridTargetLevel::HOST) const | stormm::synthesis::PhaseSpace | |
| getInverseTransformPointer(CoordinateCycle orientation, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| getInverseTransformPointer(HybridTargetLevel tier=HybridTargetLevel::HOST) const (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| getInverseTransformPointer(HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| getSelfPointer() const | stormm::synthesis::PhaseSpace | |
| getStorageHandle() const | stormm::synthesis::PhaseSpace | |
| getStorageHandle() (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| getUnitCellType() const | stormm::synthesis::PhaseSpace | |
| initializeForces(CoordinateCycle orientation) | stormm::synthesis::PhaseSpace | |
| initializeForces() (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| operator=(const PhaseSpace &other) | stormm::synthesis::PhaseSpace | |
| operator=(PhaseSpace &&other) | stormm::synthesis::PhaseSpace | |
| PhaseSpace(int atom_count_in=0, UnitCellType unit_cell_in=UnitCellType::NONE, HybridFormat format_in=default_hpc_format) | stormm::synthesis::PhaseSpace | |
| PhaseSpace(const std::string &file_name_in, CoordinateFileKind file_kind=CoordinateFileKind::UNKNOWN, int frame_number=0, HybridFormat format_in=default_hpc_format) (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| PhaseSpace(const std::string &file_name_in, const AtomGraph &ag, CoordinateFileKind file_kind=CoordinateFileKind::UNKNOWN, int frame_number=0, HybridFormat format_in=default_hpc_format) (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| PhaseSpace(const std::vector< PhaseSpace * > &input_crd, const std::vector< AtomGraph * > &input_top, const std::vector< int > &counts) (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| PhaseSpace(const PhaseSpace *ps_a, const AtomGraph *ag_a, const PhaseSpace *ps_b, const AtomGraph *ag_b) (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| PhaseSpace(const PhaseSpace &ps_a, const AtomGraph &ag_a, const PhaseSpace &ps_b, const AtomGraph &ag_b) (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| PhaseSpace(const PhaseSpace &original, const std::vector< int > &atom_list, HybridFormat format_in=default_hpc_format) (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| PhaseSpace(const PhaseSpace &original, const std::vector< uint > &mask, HybridFormat format_in=default_hpc_format) (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| PhaseSpace(const PhaseSpace &original) | stormm::synthesis::PhaseSpace | |
| PhaseSpace(const PhaseSpace &original, HybridFormat format_in) (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace | |
| PhaseSpace(PhaseSpace &&original) | stormm::synthesis::PhaseSpace | |
| updateCyclePosition() | stormm::synthesis::PhaseSpace | |
| updateCyclePosition(CoordinateCycle time_point) (defined in stormm::synthesis::PhaseSpace) | stormm::synthesis::PhaseSpace |
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