stormm::restraints::BoundedRestraint Member List
This is the complete list of members for stormm::restraints::BoundedRestraint, including all inherited members.
| BoundedRestraint(const AtomGraph *ag_in) | stormm::restraints::BoundedRestraint | |
| BoundedRestraint(const std::string &mask_i_in, const std::string &mask_j_in, const std::string &mask_k_in, const std::string &mask_l_in, const AtomGraph *ag_in, const ChemicalFeatures &chemfe, const CoordinateFrameReader &cfr, int init_step_in, int final_step_in, double init_k2_in, double init_k3_in, double init_r1_in, double init_r2_in, double init_r3_in, double init_r4_in, double final_k2_in, double final_k3_in, double final_r1_in, double final_r2_in, double final_r3_in, double final_r4_in, const double3 init_ref_crd_in={ 0.0, 0.0, 0.0 }, const double3 final_ref_crd_in={ 0.0, 0.0, 0.0 }) (defined in stormm::restraints::BoundedRestraint) | stormm::restraints::BoundedRestraint | |
| BoundedRestraint(const std::string &mask_i_in, const std::string &mask_j_in, const std::string &mask_k_in, const AtomGraph *ag_in, const ChemicalFeatures &chemfe, const CoordinateFrameReader &cfr, int init_step_in, int final_step_in, double init_k2_in, double init_k3_in, double init_r1_in, double init_r2_in, double init_r3_in, double init_r4_in, double final_k2_in, double final_k3_in, double final_r1_in, double final_r2_in, double final_r3_in, double final_r4_in) (defined in stormm::restraints::BoundedRestraint) | stormm::restraints::BoundedRestraint | |
| BoundedRestraint(const std::string &mask_i_in, const std::string &mask_j_in, const AtomGraph *ag_in, const ChemicalFeatures &chemfe, const CoordinateFrameReader &cfr, int init_step_in, int final_step_in, double init_k2_in, double init_k3_in, double init_r1_in, double init_r2_in, double init_r3_in, double init_r4_in, double final_k2_in, double final_k3_in, double final_r1_in, double final_r2_in, double final_r3_in, double final_r4_in) (defined in stormm::restraints::BoundedRestraint) | stormm::restraints::BoundedRestraint | |
| BoundedRestraint(const std::string &mask_i_in, const AtomGraph *ag_in, const ChemicalFeatures &chemfe, const CoordinateFrameReader &cfr, int init_step_in, int final_step_in, double init_k2_in, double init_k3_in, double init_r1_in, double init_r2_in, double init_r3_in, double init_r4_in, double final_k2_in, double final_k3_in, double final_r1_in, double final_r2_in, double final_r3_in, double final_r4_in, const double3 init_ref_crd_in, const double3 final_ref_crd_in) (defined in stormm::restraints::BoundedRestraint) | stormm::restraints::BoundedRestraint | |
| BoundedRestraint(const std::string &mask_i_in, const std::string &mask_j_in, const std::string &mask_k_in, const std::string &mask_l_in, const AtomGraph *ag_in, const ChemicalFeatures &chemfe, const CoordinateFrameReader &cfr, double k2_in, double k3_in, double r1_in, double r2_in, double r3_in, double r4_in) (defined in stormm::restraints::BoundedRestraint) | stormm::restraints::BoundedRestraint | |
| BoundedRestraint(const std::string &mask_i_in, const std::string &mask_j_in, const std::string &mask_k_in, const AtomGraph *ag_in, const ChemicalFeatures &chemfe, const CoordinateFrameReader &cfr, double k2_in, double k3_in, double r1_in, double r2_in, double r3_in, double r4_in) (defined in stormm::restraints::BoundedRestraint) | stormm::restraints::BoundedRestraint | |
| BoundedRestraint(const std::string &mask_i_in, const std::string &mask_j_in, const AtomGraph *ag_in, const ChemicalFeatures &chemfe, const CoordinateFrameReader &cfr, double k2_in, double k3_in, double r1_in, double r2_in, double r3_in, double r4_in) (defined in stormm::restraints::BoundedRestraint) | stormm::restraints::BoundedRestraint | |
| BoundedRestraint(const std::string &mask_i_in, const AtomGraph *ag_in, const ChemicalFeatures &chemfe, const CoordinateFrameReader &cfr, double k2_in, double k3_in, double r1_in, double r2_in, double r3_in, double r4_in, const double3 ref_crd_in) (defined in stormm::restraints::BoundedRestraint) | stormm::restraints::BoundedRestraint | |
| BoundedRestraint(const std::string &mask_i_in, const AtomGraph *ag_in, const ChemicalFeatures &chemfe, const CoordinateFrameReader &cfr, double k2_in, double k3_in, double r1_in, double r2_in, double r3_in, double r4_in, const std::string &mask_ref_in) (defined in stormm::restraints::BoundedRestraint) | stormm::restraints::BoundedRestraint | |
| BoundedRestraint(int atom_i_in, int atom_j_in, int atom_k_in, int atom_l_in, const AtomGraph *ag_in, int init_step_in, int final_step_in, double init_k2_in, double init_k3_in, double init_r1_in, double init_r2_in, double init_r3_in, double init_r4_in, double final_k2_in, double final_k3_in, double final_r1_in, double final_r2_in, double final_r3_in, double final_r4_in, const double3 init_ref_crd_in={ 0.0, 0.0, 0.0}, const double3 final_ref_crd_in={ 0.0, 0.0, 0.0 }) (defined in stormm::restraints::BoundedRestraint) | stormm::restraints::BoundedRestraint | |
| BoundedRestraint(int atom_i_in, int atom_j_in, int atom_k_in, const AtomGraph *ag_in, int init_step_in, int final_step_in, double init_k2_in, double init_k3_in, double init_r1_in, double init_r2_in, double init_r3_in, double init_r4_in, double final_k2_in, double final_k3_in, double final_r1_in, double final_r2_in, double final_r3_in, double final_r4_in) (defined in stormm::restraints::BoundedRestraint) | stormm::restraints::BoundedRestraint | |
| BoundedRestraint(int atom_i_in, int atom_j_in, const AtomGraph *ag_in, int init_step_in, int final_step_in, double init_k2_in, double init_k3_in, double init_r1_in, double init_r2_in, double init_r3_in, double init_r4_in, double final_k2_in, double final_k3_in, double final_r1_in, double final_r2_in, double final_r3_in, double final_r4_in) (defined in stormm::restraints::BoundedRestraint) | stormm::restraints::BoundedRestraint | |
| BoundedRestraint(int atom_i_in, const AtomGraph *ag_in, int init_step_in, int final_step_in, double init_k2_in, double init_k3_in, double init_r1_in, double init_r2_in, double init_r3_in, double init_r4_in, double final_k2_in, double final_k3_in, double final_r1_in, double final_r2_in, double final_r3_in, double final_r4_in, const double3 init_ref_crd_in, const double3 final_ref_crd_in) (defined in stormm::restraints::BoundedRestraint) | stormm::restraints::BoundedRestraint | |
| BoundedRestraint(int atom_i_in, int atom_j_in, int atom_k_in, int atom_l_in, const AtomGraph *ag_in, double k2_in, double k3_in, double r1_in, double r2_in, double r3_in, double r4_in) (defined in stormm::restraints::BoundedRestraint) | stormm::restraints::BoundedRestraint | |
| BoundedRestraint(int atom_i_in, int atom_j_in, int atom_k_in, const AtomGraph *ag_in, double k2_in, double k3_in, double r1_in, double r2_in, double r3_in, double r4_in) (defined in stormm::restraints::BoundedRestraint) | stormm::restraints::BoundedRestraint | |
| BoundedRestraint(int atom_i_in, int atom_j_in, const AtomGraph *ag_in, double k2_in, double k3_in, double r1_in, double r2_in, double r3_in, double r4_in) (defined in stormm::restraints::BoundedRestraint) | stormm::restraints::BoundedRestraint | |
| BoundedRestraint(int atom_i_in, const AtomGraph *ag_in, double k2_in, double k3_in, double r1_in, double r2_in, double r3_in, double r4_in, const double3 ref_crd_in) (defined in stormm::restraints::BoundedRestraint) | stormm::restraints::BoundedRestraint | |
| BoundedRestraint(int atom_index, const AtomGraph *ag_in, const CoordinateFrameReader &cfr, double k2_in, double k3_in, double r1_in, double r2_in, double r3_in, double r4_in, int refr_index=-1) (defined in stormm::restraints::BoundedRestraint) | stormm::restraints::BoundedRestraint | |
| BoundedRestraint(const BoundedRestraint &original)=default | stormm::restraints::BoundedRestraint | |
| BoundedRestraint(BoundedRestraint &&original)=default (defined in stormm::restraints::BoundedRestraint) | stormm::restraints::BoundedRestraint | |
| getAtomIndex(int restrained_atom_number) const | stormm::restraints::BoundedRestraint | |
| getDisplacements(int step_number=0) const | stormm::restraints::BoundedRestraint | |
| getFinalDisplacements() const | stormm::restraints::BoundedRestraint | |
| getFinalStep() const | stormm::restraints::BoundedRestraint | |
| getFinalStiffness() const | stormm::restraints::BoundedRestraint | |
| getFinalTargetSite() const | stormm::restraints::BoundedRestraint | |
| getInitialDisplacements() const | stormm::restraints::BoundedRestraint | |
| getInitialStep() const | stormm::restraints::BoundedRestraint | |
| getInitialStiffness() const | stormm::restraints::BoundedRestraint | |
| getInitialTargetSite() const | stormm::restraints::BoundedRestraint | |
| getOrder() const | stormm::restraints::BoundedRestraint | |
| getStiffness(int step_number=0) const | stormm::restraints::BoundedRestraint | |
| getTargetSite(int step_number=0) const | stormm::restraints::BoundedRestraint | |
| getTopologyPointer() const | stormm::restraints::BoundedRestraint | |
| operator=(const BoundedRestraint &original)=default (defined in stormm::restraints::BoundedRestraint) | stormm::restraints::BoundedRestraint | |
| operator=(BoundedRestraint &&original)=default (defined in stormm::restraints::BoundedRestraint) | stormm::restraints::BoundedRestraint | |
| setDisplacements(double new_r1, double new_r2, double new_r3, double new_r4) | stormm::restraints::BoundedRestraint | |
| setFinalDisplacements(double new_r1, double new_r2, double new_r3, double new_r4) | stormm::restraints::BoundedRestraint | |
| setFinalStep(int new_final_step) | stormm::restraints::BoundedRestraint | |
| setFinalStiffness(double new_init_keq) | stormm::restraints::BoundedRestraint | |
| setFinalStiffnesses(double new_init_k2, double new_init_k3) | stormm::restraints::BoundedRestraint | |
| setFinalTargetSite(double new_ref_x, double new_ref_y, double new_ref_z) | stormm::restraints::BoundedRestraint | |
| setFinalTargetSite(double3 new_ref_crd) (defined in stormm::restraints::BoundedRestraint) | stormm::restraints::BoundedRestraint | |
| setInitialDisplacements(double new_r1, double new_r2, double new_r3, double new_r4) | stormm::restraints::BoundedRestraint | |
| setInitialStep(int new_init_step) | stormm::restraints::BoundedRestraint | |
| setInitialStiffness(double new_init_keq) | stormm::restraints::BoundedRestraint | |
| setInitialStiffnesses(double new_init_k2, double new_init_k3) | stormm::restraints::BoundedRestraint | |
| setInitialTargetSite(double new_ref_x, double new_ref_y, double new_ref_z) | stormm::restraints::BoundedRestraint | |
| setInitialTargetSite(double3 new_ref_crd) (defined in stormm::restraints::BoundedRestraint) | stormm::restraints::BoundedRestraint | |
| setStiffness(double new_keq) | stormm::restraints::BoundedRestraint | |
| setStiffnesses(double new_k2, double new_k3) | stormm::restraints::BoundedRestraint | |
| setTargetSite(double new_ref_x, double new_ref_y, double new_ref_z) | stormm::restraints::BoundedRestraint | |
| setTargetSite(double3 new_ref_crd) (defined in stormm::restraints::BoundedRestraint) | stormm::restraints::BoundedRestraint |
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