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IMP Reference Guide  develop.cd20b1e321,2019/12/14
The Integrative Modeling Platform
IMP::score_functor Namespace Reference

Composable functors to implement scores via compile-time composition. More...

Detailed Description

Composable functors to implement scores via compile-time composition.

Currently, there is support for distance based IMP::PairScore types generated from the IMP::score_functor::DistanceScore and IMP::score_functor::DistancePairScore. Angles and others can be added if desired.

No functionality is exported to Python. It can be done with some work, but it is not clear that it would be very useful.

Info

Author(s): Daniel Russel

Maintainer: benmwebb

License: LGPL This library is free software; you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version.

Publications:

Classes

class  AddScores
 
class  DistancePairScore
 Create efficient distance-based pair scores. More...
 
class  Dope
 
class  Harmonic
 
class  HarmonicLowerBound
 
class  HarmonicUpperBound
 
class  LinearLowerBound
 
class  OpenCubicSpline
 Open cubic spline function. More...
 
class  OrientedSoap
 Orientation-dependent SOAP score. More...
 
class  PointToSphereDistance
 
struct  Score
 A functor for computing a distance based score for D particles. More...
 
class  ScoreUnaryFunction
 
class  Shift
 
class  SingletonStatistical
 Create a single key/single particle statistical potential from a file. More...
 
class  Soap
 Score pairs of atoms based on SOAP. More...
 
class  SphereDistance
 
class  Statistical
 
class  SurfaceDepthPairScore
 Create efficient surface depth-based pair scores. More...
 
class  SurfaceDistancePairScore
 Create efficient surface distance-based pair scores. More...
 
class  SurfaceHeightPairScore
 Create efficient surface height-based pair scores. More...
 
class  UnaryFunctionEvaluate
 
class  WeightScore
 

Typedefs

typedef Key< 6453462 > DopeType
 
typedef IMP::Vector< DopeTypeDopeTypes
 

Standard module functions

All IMP modules have a set of standard functions to help get information about the module and about files associated with the module.

std::string get_module_version ()
 
std::string get_module_name ()
 
std::string get_data_path (std::string file_name)
 Return the full path to one of this module's data files. More...
 
std::string get_example_path (std::string file_name)
 Return the full path to one of this module's example files. More...
 

Typedef Documentation

The type of atoms for Dope.

Definition at line 21 of file Dope.h.

Pass or store a set of DopeType .

Definition at line 22 of file Dope.h.

Function Documentation

std::string IMP::score_functor::get_data_path ( std::string  file_name)

Return the full path to one of this module's data files.

To read the data file "data_library" that was placed in the data directory of this module, do something like

std::ifstream in(IMP::score_functor::get_data_path("data_library"));

This will ensure that the code works both when IMP is installed or if used via the setup_environment.sh script.

Note
Each module has its own data directory, so be sure to use this function from the correct module.
std::string IMP::score_functor::get_example_path ( std::string  file_name)

Return the full path to one of this module's example files.

To read the example file "example_protein.pdb" that was placed in the examples directory of this module, do something like

std::ifstream in(IMP::score_functor::get_example_path("example_protein.pdb"));

This will ensure that the code works both when IMP is installed or if used via the setup_environment.sh script.

Note
Each module has its own example directory, so be sure to use this function from the correct module.