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::scoring_function::DistanceScore and IMP::scoring_function::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:

• See main IMP papers list.

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...
struct	Score
	A functor for computing a distance based score for two particles. More...
class	ScoreUnaryFunction
class	Shift
class	SingletonStatistical
class	Soap
class	SphereDistance
class	Statistical
class	UnaryFunctionEvaluate
class	WeightScore

Typedefs
typedef Key< 6453462, false >	DopeType
typedef IMP::base::Vector < DopeType >	DopeTypes

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 installed data. More...
std::string	get_example_path (std::string file_name)
	Return the path to installed example data for this module. More...

Typedef Documentation

typedef Key<6453462, false> IMP::score_functor::DopeType

The type of atoms for Dope.

Definition at line 21 of file Dope.h.

typedef IMP::base::Vector< DopeType > IMP::score_functor::DopeTypes

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 installed data.

Each module has its own data directory, so be sure to use the version of this function in the correct module. To read the data file "data_library" that was placed in the data directory of module "mymodule", do something like

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

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

std::string IMP::score_functor::get_example_path

(

std::string

file_name

)

Return the path to installed example data for this module.

Each module has its own example directory, so be sure to use the version of this function in the correct module. For example to read the file example_protein.pdb located in the examples directory of the IMP::atom module, do

 IMP::atom::read_pdb(IMP::atom::get_example_path("example_protein.pdb",
model));

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