Restrain particles within (or outside) a cylinder.
The cylinder is aligned along the z-axis and with center x=y=0. Optionally, one can restrain the cylindrical angle
- Note
- This class is only available in Python.
Definition at line 123 of file basic.py.
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| def | __init__ |
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| | Restraint (Model *m, std::string name) |
| | Create a restraint and register it with the model. More...
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| | Restraint () |
| | Default constructor. More...
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| Restraint * | create_current_decomposition () const |
| | Decompose this restraint into constituent terms for the current conf. More...
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| Restraint * | create_decomposition () const |
| | Decompose this restraint into constituent terms. More...
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| virtual ScoringFunction * | create_scoring_function (double weight=1.0, double max=NO_MAX) const |
| | Create a scoring function with only this restraint. More...
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| virtual RestraintInfo * | get_dynamic_info () const |
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| bool | get_is_aggregate () const |
| | Return whether this restraint wraps a number of other restraints. More...
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| double | get_last_last_score () const |
| | Get the unweighted score from the last-but-one time it was evaluated. More...
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| virtual double | get_last_score () const |
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| double | get_score () const |
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| virtual RestraintInfo * | get_static_info () const |
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| bool | get_was_good () const |
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| double | evaluate (bool calc_derivs) const |
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| double | evaluate_moved (bool calc_derivs, const ParticleIndexes &moved_pis, const ParticleIndexes &reset_pis) const |
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| double | evaluate_moved_if_below (bool calc_derivatives, const ParticleIndexes &moved_pis, const ParticleIndexes &reset_pis, double max) const |
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| double | evaluate_moved_if_good (bool calc_derivatives, const ParticleIndexes &moved_pis, const ParticleIndexes &reset_pis) const |
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| double | evaluate_if_good (bool calc_derivatives) const |
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| double | evaluate_if_below (bool calc_derivatives, double max) const |
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| virtual double | unprotected_evaluate (DerivativeAccumulator *da) const |
| | Return the unweighted score for the restraint. More...
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| virtual double | unprotected_evaluate_moved (DerivativeAccumulator *da, const ParticleIndexes &moved_pis, const ParticleIndexes &reset_pis) const |
| | Return the unweighted score, taking moving particles into account. More...
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| virtual double | unprotected_evaluate_if_good (DerivativeAccumulator *da, double max) const |
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| virtual double | unprotected_evaluate_if_below (DerivativeAccumulator *da, double max) const |
| | The function calling this will treat any score >= max as bad. More...
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virtual double | unprotected_evaluate_moved_if_below (DerivativeAccumulator *da, const ParticleIndexes &moved_pis, const ParticleIndexes &reset_pis, double max) const |
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virtual double | unprotected_evaluate_moved_if_good (DerivativeAccumulator *da, const ParticleIndexes &moved_pis, const ParticleIndexes &reset_pis, double max) const |
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void | set_weight (Float weight) |
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Float | get_weight () const |
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double | get_maximum_score () const |
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void | set_maximum_score (double s) |
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| ModelObject (Model *m, std::string name) |
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| bool | get_has_dependencies () const |
| | Return whether this object has dependencies computed. More...
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| bool | get_has_required_score_states () const |
| | Return whether score states are computed. More...
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| ModelObjectsTemp | get_inputs () const |
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| ModelObjectsTemps | get_interactions () const |
| | Get the interacting sets induced by this ModelObject. More...
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Model * | get_model () const |
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| ModelObjectsTemp | get_outputs () const |
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| const ScoreStatesTemp & | get_required_score_states () const |
| | Get the score states that are ancestors of this in the dependency graph. More...
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| void | set_has_dependencies (bool tf) |
| | Either invalidate the dependencies or ensure they are correct. More...
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| void | set_has_required_score_states (bool tf) |
| | Compute the required score states. More...
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| virtual void | clear_caches () |
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CheckLevel | get_check_level () const |
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LogLevel | get_log_level () const |
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| virtual VersionInfo | get_version_info () const |
| | Get information about the module and version of the object. More...
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| void | set_check_level (CheckLevel l) |
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| void | set_log_level (LogLevel l) |
| | Set the logging level used in this object. More...
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| void | set_was_used (bool tf) const |
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void | show (std::ostream &out=std::cout) const |
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const std::string & | get_name () const |
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void | set_name (std::string name) |
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virtual std::string | get_type_name () const |
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Inheritance diagram for IMP.pmi.restraints.basic.CylinderRestraint: