IMP::modeller::MultipleBinormalRestraint Class Reference
Modeller-style multiple binormal (phi/psi) restraint. More...
#include <IMP/modeller/MultipleBinormalRestraint.h>
Inheritance diagram for IMP::modeller::MultipleBinormalRestraint:Public Member Functions | |
| MultipleBinormalRestraint (const ParticleQuad &q1, const ParticleQuad &q2) | |
| Create the multiple binormal restraint. More... | |
| void | add_term (const BinormalTerm &term) |
| Add a single BinormalTerm to the restraint. | |
| IMP_RESTRAINT (MultipleBinormalRestraint) | |
| Public Member Functions inherited from IMP::kernel::Restraint | |
| Restraint (Model *m, std::string name) | |
| void | add_score_and_derivatives (ScoreAccumulator sa) const |
| Restraint * | create_current_decomposition () const |
| Decompose this restraint into constituent terms for the current conf. More... | |
| Restraint * | create_decomposition () const |
| Decompose this restraint into constituent terms. More... | |
| virtual ScoringFunction * | create_scoring_function (double weight=1.0, double max=NO_MAX) const |
| ContainersTemp | get_input_containers () const |
| ParticlesTemp | get_input_particles () const |
| virtual double | get_last_score () const |
| double | get_score () const |
| bool | get_was_good () const |
| 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::kernel::ModelObject | |
| ModelObject (Model *m, std::string name) | |
| ModelObjectsTemp | get_inputs () const |
| ModelObjectsTemps | get_interactions () const |
| Model * | get_model () const |
| ModelObjectsTemp | get_outputs () const |
| Public Member Functions inherited from IMP::base::Object | |
| virtual void | clear_caches () |
| 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. More... | |
| 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) |
Additional Inherited Members | |
| Protected Member Functions inherited from IMP::kernel::Restraint | |
| virtual void | do_add_score_and_derivatives (ScoreAccumulator sa) const |
| virtual Restraints | do_create_current_decomposition () const |
| virtual Restraints | do_create_decomposition () const |
| ModelObjectsTemp | do_get_outputs () const |
| virtual void | do_update_dependencies () |
| Related Functions inherited from IMP::kernel::Restraint | |
| typedef IMP::base::Vector < IMP::base::WeakPointer < Restraint > > | RestraintsTemp |
Detailed Description
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.
Definition at line 30 of file MultipleBinormalRestraint.h.
Constructor & Destructor Documentation
| IMP::modeller::MultipleBinormalRestraint::MultipleBinormalRestraint | ( | const ParticleQuad & | q1, |
| const ParticleQuad & | q2 | ||
| ) |
After creating the restraint, call add_term one or more times to add BinormalTerms to the restraint.
- Parameters
-
[in] q1 First quad of particles. [in] q2 Second quad of particles.
The documentation for this class was generated from the following file: