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IMP
2.0.1
The Integrative Modeling Platform
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#include <IMP/statistics/metrics.h>
Inheritance diagram for IMP::statistics::ConfigurationSetRMSDMetric:Public Member Functions | |
| ConfigurationSetRMSDMetric (ConfigurationSet *cs, SingletonContainer *sc, bool align=false) | |
| virtual void | do_show (std::ostream &out) const |
| double | get_distance (unsigned int i, unsigned int j) const |
| unsigned int | get_number_of_items () const |
Additional Inherited Members | |
Protected Member Functions inherited from IMP::statistics::Metric | |
| Metric (std::string name) | |
Related Functions inherited from IMP::statistics::Metric | |
| typedef IMP::base::Vector < IMP::base::WeakPointer < Metric > > | MetricsTemp |
Compute the RMSD between specified sets of particles in pairs of configurations, within a configuration set
| 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 continer
| 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 |