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IMP Reference Guide  develop.5de2a9ba5d,2024/02/24
The Integrative Modeling Platform
IMP::statistics::ConfigurationSetRMSDMetric Class Reference

#include <IMP/statistics/metrics.h>

+ Inheritance diagram for IMP::statistics::ConfigurationSetRMSDMetric:

Detailed Description

Compute the RMSD between specified sets of particles in pairs of configurations, within a configuration set

Definition at line 36 of file metrics.h.

Public Member Functions

 ConfigurationSetRMSDMetric (ConfigurationSet *cs, SingletonContainer *sc, bool align=false)
 
double get_distance (unsigned int i, unsigned int j) const override
 
unsigned int get_number_of_items () const override
 
virtual std::string get_type_name () const override
 
virtual ::IMP::VersionInfo get_version_info () const override
 Get information about the module and version of the object. More...
 
- Public Member Functions inherited from IMP::statistics::Metric
double get_weight (unsigned int i) const
 Return a weight for the point. More...
 
- Public Member Functions inherited from IMP::Object
virtual void clear_caches ()
 
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)
 

Additional Inherited Members

- Protected Member Functions inherited from IMP::statistics::Metric
 Metric (std::string name)
 
virtual double do_get_weight (unsigned int i) const
 By default return 1.0. More...
 
- Protected Member Functions inherited from IMP::Object
 Object (std::string name)
 Construct an object with the given name. More...
 
virtual void do_destroy ()
 

Constructor & Destructor Documentation

IMP::statistics::ConfigurationSetRMSDMetric::ConfigurationSetRMSDMetric ( ConfigurationSet cs,
SingletonContainer sc,
bool  align = false 
)

Constructor for creating a metric that computes RMSD between pairs of configurations in a configuration set, using joint particles specified in a singleton container

Parameters
csthe set of configurations
scthe particles used for RMSD calculation between each pair of configuration
alignwhether to align pair of configurations prior to RMSD calculations

Member Function Documentation

virtual ::IMP::VersionInfo IMP::statistics::ConfigurationSetRMSDMetric::get_version_info ( ) const
overridevirtual

Get information about the module and version of the object.

Reimplemented from IMP::Object.

Definition at line 57 of file metrics.h.


The documentation for this class was generated from the following file: