IMP  2.3.0
The Integrative Modeling Platform
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IMP::score_functor::SingletonStatistical< Key, INTERPOLATE > Class Template Reference

#include <IMP/score_functor/SingletonStatistical.h>

Detailed Description

template<class Key, bool INTERPOLATE>
class IMP::score_functor::SingletonStatistical< Key, INTERPOLATE >

Create a single key/single particle statistical potential from a file. The Key passed as a template argument is used to determine how to map the name of the type as described in the loaded file to table index. That is, if atom::ResidueKey is passed as the Keys, the potential will expect a file which has one line for each residue name.

The expected file format is: 

    bin_width number [offset]
    key_0 bin0 bin1 bin2...
    key_1 bin0 bin1 bin2...

The order of the lines (after the first one) does not matter.
The bin_width is how much distance is allocated per bin (the distance used
is that between the points). number is the number of particle types.

\note The values read in the file are for bins. That is, the first bin
is from offset to offset+width. The second is offset+width to offset+
2width.
As a result, when interpolation is used, the function achieves the
bin value at the center of the bin.

\param[in] Key is an IMP::Key which maps between names and indices
\param[in] INTERPOLATE If true, even the scores without derivatives are
spline interpolated. If false, only the evaluation of derivatives is
interpolated with a spline.

Definition at line 49 of file SingletonStatistical.h.

Public Member Functions

 SingletonStatistical (IntKey k, base::TextInput data_file=get_data_path("soap_score_sas.lib"))
 
double get_score (kernel::Model *m, const kernel::ParticleIndex pi, double area) const
 
The documentation for this class was generated from the following file: