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Modeller-style multiple binormal (phi/psi) restraint.
This implements a multiple binormal restraint on the two dihedral angles between the two quads of Particles passed to the restraint, by implementing equation A.76 in the Modeller manual. The two angles are typically the phi and psi dihedrals of a residue.
Inheritance diagram for IMP::modeller::MultipleBinormalRestraint:Public Member Functions | |
| MultipleBinormalRestraint (const ParticleQuad &q1, const ParticleQuad &q2) | |
| Create the multiple binormal restraint. | |
| void | add_term (const BinormalTerm &term) |
| Add a single BinormalTerm to the restraint. | |
| Public Member Functions inherited from IMP::Restraint | |
| Restraint (Model *m, std::string name) | |
| Restraint * | create_current_decomposition () const |
| Decompose this restraint into constituent terms for the current conf. | |
| Restraint * | create_decomposition () const |
| Decompose this restraint into constituent terms. | |
| double | evaluate (bool calc_derivs) const |
| Return the score for this restraint for the current state of the model. | |
| double | evaluate_if_below (bool calc_derivatives, double max) const |
| See Model::evaluate_with_maximum() | |
| double | evaluate_if_good (bool calc_derivatives) const |
| See Model::evaluate_if_good() | |
| double | get_last_score () const |
| bool | get_was_good () const |
| virtual double | unprotected_evaluate (DerivativeAccumulator *) const =0 |
| virtual double | unprotected_evaluate_if_good (DerivativeAccumulator *da, double max) const |
| virtual double | unprotected_evaluate_if_below (DerivativeAccumulator *da, double max) const |
| virtual ContainersTemp | get_input_containers () const =0 |
| virtual ParticlesTemp | get_input_particles () const =0 |
| void | set_weight (Float weight) |
| Float | get_weight () const |
| double | get_maximum_score () const |
| void | set_maximum_score (double s) |
| Public Member Functions inherited from IMP::ModelObject | |
| ModelObject (Model *m, std::string name) | |
| ModelObjectsTemp | get_inputs () const |
| Model * | get_model () const |
| ModelObjectsTemp | get_outputs () const |
| Public Member Functions inherited from IMP::base::Object | |
| std::size_t | __hash__ () const |
| virtual std::string | get_type_name () const =0 |
| Return a string identifying the type of the object. | |
| virtual IMP::base::VersionInfo | get_version_info () const =0 |
| Get information about the module and version of the object. | |
| void | set_check_level (CheckLevel l) |
| void | set_log_level (LogLevel l) |
| Set the logging level used in this object. | |
| void | set_was_used (bool tf) const |
| void | show (std::ostream &out=std::cout) const |
| const std::string & | get_name () const |
| void | set_name (std::string name) |
Static Public Member Functions | |
| static MultipleBinormalRestraint * | get_from (IMP::base::Object *o) |
Additional Inherited Members | |
| Protected Member Functions inherited from IMP::Restraint | |
| virtual Restraints | do_create_current_decomposition () const |
| virtual Restraints | do_create_decomposition () const |
| Protected Member Functions inherited from IMP::ModelObject | |
| virtual ModelObjectsTemp | do_get_inputs () const =0 |
| virtual ModelObjectsTemp | do_get_outputs () const =0 |
| virtual void | do_update_dependencies (const DependencyGraph &, const DependencyGraphVertexIndex &) |
| void | update_dependencies (const DependencyGraph &dg, const DependencyGraphVertexIndex &index) |
| Protected Member Functions inherited from IMP::base::Object | |
| Object (std::string name) | |
| IMP::modeller::MultipleBinormalRestraint::MultipleBinormalRestraint | ( | const ParticleQuad & | q1, |
| const ParticleQuad & | q2 | ||
| ) |
Create the multiple binormal restraint.
After creating the restraint, call add_term one or more times to add BinormalTerms to the restraint.
| [in] | q1 | First quad of particles. |
| [in] | q2 | Second quad of particles. |
| void IMP::modeller::MultipleBinormalRestraint::add_term | ( | const BinormalTerm & | term | ) |
Add a single BinormalTerm to the restraint.
