stormm::synthesis::SynthesisPermutor Member List
This is the complete list of members for stormm::synthesis::SynthesisPermutor, including all inherited members.
| applySynthesis(const PhaseSpaceSynthesis *poly_ps_in, VariableTorsionAdjustment adj=VariableTorsionAdjustment::DO_NOT_CHANGE) | stormm::synthesis::SynthesisPermutor | |
| applySynthesis(const PhaseSpaceSynthesis &poly_ps_in, VariableTorsionAdjustment adj=VariableTorsionAdjustment::DO_NOT_CHANGE) (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor | |
| buildSynthesis(SamplingIntensity effort, Xoshiro256ppGenerator *xrs, std::vector< int > *correspondence, int system_limit, int globalpos_scale_bits=default_globalpos_scale_bits, int localpos_scale_bits=default_localpos_scale_bits, int velocity_scale_bits=default_velocity_scale_bits, int force_scale_bits=default_force_scale_bits, PrecisionModel prec=PrecisionModel::SINGLE, ClashReport *clrep=nullptr, int iteration_limit=default_conf_max_seeding_attempts, int max_clashes=default_conf_clash_pairs) const | stormm::synthesis::SynthesisPermutor | |
| buildSynthesis(SamplingIntensity effort, Xoshiro256ppGenerator *xrs, std::vector< int > *correspondence, PrecisionModel prec, int system_limit, ClashReport *clrep=nullptr, int iteration_limit=default_conf_max_seeding_attempts, int max_clashes=default_conf_clash_pairs) const (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor | |
| buildSynthesis(SamplingIntensity effort, Xoshiro256ppGenerator *xrs, int system_limit, int globalpos_scale_bits=default_globalpos_scale_bits, int localpos_scale_bits=default_localpos_scale_bits, int velocity_scale_bits=default_velocity_scale_bits, int force_scale_bits=default_force_scale_bits, PrecisionModel prec=PrecisionModel::SINGLE, ClashReport *clrep=nullptr, int iteration_limit=default_conf_max_seeding_attempts, int max_clashes=default_conf_clash_pairs) const (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor | |
| buildSynthesis(SamplingIntensity effort, Xoshiro256ppGenerator *xrs, PrecisionModel prec, int system_limit, ClashReport *clrep=nullptr, int iteration_limit=default_conf_max_seeding_attempts, int max_clashes=default_conf_clash_pairs) const (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor | |
| defineChiralCenterSettings(int system_index, const std::vector< std::vector< int > > &settings) | stormm::synthesis::SynthesisPermutor | |
| defineCisTransBondSettings(int system_index, const std::vector< std::vector< double > > &settings) | stormm::synthesis::SynthesisPermutor | |
| defineRotatableBondSettings(int map_index, const std::vector< std::vector< double > > &settings) | stormm::synthesis::SynthesisPermutor | |
| dpData(HybridTargetLevel tier=HybridTargetLevel::HOST) const | stormm::synthesis::SynthesisPermutor | |
| getChemicalFeaturesPointer(int map_index) const | stormm::synthesis::SynthesisPermutor | |
| getChemicalFeaturesPointer() const (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor | |
| getChiralCenterCount(const int permutor_map_index) const | stormm::synthesis::SynthesisPermutor | |
| getChiralCenterCount() const (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor | |
| getCisTransBondCount(const int permutor_map_index) const | stormm::synthesis::SynthesisPermutor | |
| getCisTransBondCount() const (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor | |
| getCisTransBondSampleCount() const | stormm::synthesis::SynthesisPermutor | |
| getCisTransGroup(int system_index, int group_index) const | stormm::synthesis::SynthesisPermutor | |
| getElementSampleCount(ConformationEdit element_kind, int index) const | stormm::synthesis::SynthesisPermutor | |
| getElementSampleCount(CoupledEdit ce) const (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor | |
| getElementSampleCounts(int system_index) const | stormm::synthesis::SynthesisPermutor | |
| getElementSampleCounts(const AtomGraph *query_ag) const (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor | |
| getElementSampleCounts(const AtomGraph &query_ag) const (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor | |
| getInvertibleGroup(int system_index, int group_index) const | stormm::synthesis::SynthesisPermutor | |
| getPermutorMapIndex(const AtomGraph *query_ag) const | stormm::synthesis::SynthesisPermutor | |
| getPermutorMapIndex(const AtomGraph &query_ag) const (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor | |
| getPermutorMapIndex(const PhaseSpaceSynthesis *poly_ps, int system_index) const (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor | |
| getPermutorMapIndex(const PhaseSpaceSynthesis &poly_ps, int system_index) const (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor | |
| getPermutorSetCount() const | stormm::synthesis::SynthesisPermutor | |
| getReplicaCount(int query_index, SamplingIntensity effort) const | stormm::synthesis::SynthesisPermutor | |
| getReplicaCount(const AtomGraph *query_ag, SamplingIntensity effort) const (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor | |
| getReplicaCount(const AtomGraph &query_ag, SamplingIntensity effort) const (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor | |
| getReplicaCount(SamplingIntensity effort) const (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor | |
| getRotatableBondCount(const int permutor_map_index) const | stormm::synthesis::SynthesisPermutor | |
| getRotatableBondCount() const (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor | |
| getRotatableBondSampleCount() const | stormm::synthesis::SynthesisPermutor | |
| getRotatableGroup(int system_index, int group_index) const | stormm::synthesis::SynthesisPermutor | |
| getStateTracker(int system_index) const | stormm::synthesis::SynthesisPermutor | |
| getStateTracker(const AtomGraph *ag) const (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor | |
| getStateTracker(const AtomGraph &ag) const (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor | |
| getSynthesisPointer() const | stormm::synthesis::SynthesisPermutor | |
| getSystemChiralCenterCount(int system_index) const | stormm::synthesis::SynthesisPermutor | |
| getSystemCisTransBondCount(int system_index) const | stormm::synthesis::SynthesisPermutor | |
| getSystemCount() const | stormm::synthesis::SynthesisPermutor | |
| getSystemRotatableBondCount(int system_index) const | stormm::synthesis::SynthesisPermutor | |
| getVariableElementCount(int system_index) const | stormm::synthesis::SynthesisPermutor | |
| impartControlData(const ConformerControls &confcon) | stormm::synthesis::SynthesisPermutor | |
| operator=(const SynthesisPermutor &other) (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor | |
| operator=(SynthesisPermutor &&other) (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor | |
| permuteSystem(PhaseSpaceSynthesis *psynth, int system_index, int map_index, const CoupledEdit ce, int setting_index, PrecisionModel prec=PrecisionModel::SINGLE) const | stormm::synthesis::SynthesisPermutor | |
| permuteSystem(int system_index, const CoupledEdit ce, int setting_index, PrecisionModel prec=PrecisionModel::SINGLE) (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor | |
| randomizeSystem(PhaseSpaceSynthesis *psynth, int system_index, int map_index, Xoshiro256ppGenerator *xrs, PrecisionModel prec=PrecisionModel::SINGLE, const CoupledEdit mask_a={ ConformationEdit::BOND_ROTATION, -1 }, const CoupledEdit mask_b={ ConformationEdit::BOND_ROTATION, -1 }, const CoupledEdit mask_c={ ConformationEdit::BOND_ROTATION, -1 }) const | stormm::synthesis::SynthesisPermutor | |
| randomizeSystem(int system_index, Xoshiro256ppGenerator *xrs, PrecisionModel prec=PrecisionModel::SINGLE, const CoupledEdit mask_a={ ConformationEdit::BOND_ROTATION, -1 }, const CoupledEdit mask_b={ ConformationEdit::BOND_ROTATION, -1 }, const CoupledEdit mask_c={ ConformationEdit::BOND_ROTATION, -1 }) (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor | |
| setVariableRanges(const std::vector< double > &general_rot_settings_in, const std::vector< double > &general_ctx_settings_in, bool sample_cis_trans_states=false, bool sample_chiral_states=false) | stormm::synthesis::SynthesisPermutor | |
| spData(HybridTargetLevel tier=HybridTargetLevel::HOST) const | stormm::synthesis::SynthesisPermutor | |
| SynthesisPermutor() | stormm::synthesis::SynthesisPermutor | |
| SynthesisPermutor(const AtomGraphSynthesis *poly_ag, StopWatch *timer=nullptr) (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor | |
| SynthesisPermutor(const AtomGraphSynthesis &poly_ag, StopWatch *timer=nullptr) (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor | |
| SynthesisPermutor(const AtomGraphSynthesis *poly_ag, const ConformerControls &confcon, StopWatch *timer=nullptr) (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor | |
| SynthesisPermutor(const AtomGraphSynthesis &poly_ag, const ConformerControls &confcon, StopWatch *timer=nullptr) (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor | |
| SynthesisPermutor(const PhaseSpaceSynthesis *poly_ps, StopWatch *timer=nullptr) (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor | |
| SynthesisPermutor(const PhaseSpaceSynthesis &poly_ps, StopWatch *timer=nullptr) (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor | |
| SynthesisPermutor(const PhaseSpaceSynthesis *poly_ps, const ConformerControls &confcon, StopWatch *timer=nullptr) (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor | |
| SynthesisPermutor(const PhaseSpaceSynthesis &poly_ps, const ConformerControls &confcon, StopWatch *timer=nullptr) (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor | |
| SynthesisPermutor(const std::vector< ChemicalFeatures * > &chemfe_in, bool retain_pointers=true, StopWatch *timer=nullptr) (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor | |
| SynthesisPermutor(const std::vector< ChemicalFeatures > &chemfe_in, bool retain_pointers=true, StopWatch *timer=nullptr) (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor | |
| SynthesisPermutor(const std::vector< ChemicalFeatures * > &chemfe_in, const PhaseSpaceSynthesis *poly_ps, const ConformerControls &confcon, const bool retain_pointers=true, StopWatch *timer=nullptr) (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor | |
| SynthesisPermutor(const std::vector< ChemicalFeatures * > &chemfe_in, const PhaseSpaceSynthesis &poly_ps, const ConformerControls &confcon, const bool retain_pointers=true, StopWatch *timer=nullptr) (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor | |
| SynthesisPermutor(const std::vector< ChemicalFeatures > &chemfe_in, const PhaseSpaceSynthesis &poly_ps, const ConformerControls &confcon, const bool retain_pointers=true, StopWatch *timer=nullptr) (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor | |
| SynthesisPermutor(const SynthesisPermutor &original) | stormm::synthesis::SynthesisPermutor | |
| SynthesisPermutor(SynthesisPermutor &&original) (defined in stormm::synthesis::SynthesisPermutor) | stormm::synthesis::SynthesisPermutor |
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