IMP Reference Guide
2.7.0
The Integrative Modeling Platform
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#include <IMP/statistics/metrics.h>
Compute the RMSD between specified sets of particles in pairs of configurations, within a configuration set
Public Member Functions | |
ConfigurationSetRMSDMetric (ConfigurationSet *cs, SingletonContainer *sc, bool align=false) | |
double | get_distance (unsigned int i, unsigned int j) const |
unsigned int | get_number_of_items () const |
virtual std::string | get_type_name () const |
virtual ::IMP::VersionInfo | get_version_info () const |
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 () |
IMP::statistics::ConfigurationSetRMSDMetric::ConfigurationSetRMSDMetric | ( | ConfigurationSet * | cs, |
SingletonContainer * | sc, | ||
bool | align = false |
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Constructor for creating a metric that computes RMSD between pairs of configurations in a configuration set, using joint particles specified in a singleton container
cs | the set of configurations |
sc | the particles used for RMSD calculation between each pair of configuration |
align | whether to align pair of configurations prior to RMSD calculations |
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virtual |
Get information about the module and version of the object.
Reimplemented from IMP::Object.