IMP
2.2.0
The Integrative Modeling Platform
|
#include <IMP/atom/pdb.h>
Public Member Functions | |
WritePDBOptimizerState (kernel::Model *m, const kernel::ParticleIndexesAdaptor &pis, std::string filename) | |
WritePDBOptimizerState (const atom::Hierarchies mh, std::string filename) | |
virtual std::string | get_type_name () const |
virtual ::IMP::base::VersionInfo | get_version_info () const |
Get information about the module and version of the object. | |
Public Member Functions inherited from IMP::kernel::OptimizerState | |
OptimizerState (kernel::Model *m, std::string name) | |
unsigned int | get_number_of_updates () const |
Return the number of times update has been called. | |
Optimizer * | get_optimizer () const |
unsigned int | get_period () const |
virtual void | reset () |
virtual void | set_is_optimizing (bool) |
void | set_number_of_updates (unsigned int n) |
Set the counter. | |
void | set_period (unsigned int p) |
virtual void | update () |
Called when the Optimizer accepts a new conformation. More... | |
void | update_always () |
Public Member Functions inherited from IMP::kernel::ModelObject | |
ModelObject (kernel::Model *m, std::string name) | |
bool | get_has_dependencies () const |
Return whether this object has dependencies computed. | |
bool | get_has_required_score_states () const |
ModelObjectsTemp | get_inputs () const |
ModelObjectsTemps | get_interactions () const |
Model * | get_model () const |
ModelObjectsTemp | get_outputs () const |
const ScoreStatesTemp & | get_required_score_states () const |
void | set_has_dependencies (bool tf) |
void | set_has_required_score_states (bool tf) |
Public Member Functions inherited from IMP::base::Object | |
virtual void | clear_caches () |
virtual void | do_destroy () |
CheckLevel | get_check_level () const |
LogLevel | get_log_level () const |
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) |
Protected Member Functions | |
virtual kernel::ModelObjectsTemp | do_get_inputs () const |
virtual void | do_update (unsigned int call) |
Protected Member Functions inherited from IMP::kernel::OptimizerState | |
virtual ModelObjectsTemp | do_get_outputs () const |
virtual void | do_set_is_optimizing (bool) |
Protected Member Functions inherited from IMP::kernel::ModelObject | |
virtual ModelObjectsTemps | do_get_interactions () const |
virtual void | handle_set_has_required_score_states (bool) |
Protected Member Functions inherited from IMP::base::Object | |
Object (std::string name) | |
Construct an object with the given name. More... | |
This writes a PDB file at the specified interval during optimization. If the file name contains %1% then a new file is written each time with the %1% replaced by the index. Otherwise a new model is written each time to the same file.
|
protectedvirtual |
Get any Particle, Container or other ModelObjects read by this during evaluation. If you read everything in a container, you can just return that container.
Reimplemented from IMP::kernel::OptimizerState.
|
protectedvirtual |
This method is called every get_period() update calls. The number of times this method has been called since the last reset or start of the optimization run is passed.
Reimplemented from IMP::kernel::OptimizerState.