Rosetta 3.4
Public Member Functions
protocols::frag_picker::scores::AtomPairConstraintsScore Class Reference

Scores a fragment with a set of AtomPair constraints. More...

#include <AtomPairConstraintsScore.hh>

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List of all members.

Public Member Functions

 AtomPairConstraintsScore (Size, Real, bool, std::string, Size, utility::vector1< std::string >)
 Prepare an AtomPair constraint - based score that utilizes some user-defined atoms.
 AtomPairConstraintsScore (Size, Real, bool, std::string, Size)
 Prepare an AtomPair constraint - based score that utilizes N, C, CA, O && CB atoms.
bool cached_score (FragmentCandidateOP, FragmentScoreMapOP)
 Calculates a score for a given fragment.

Detailed Description

Scores a fragment with a set of AtomPair constraints.


Constructor & Destructor Documentation

protocols::frag_picker::scores::AtomPairConstraintsScore::AtomPairConstraintsScore ( Size  priority,
Real  lowest_acceptable_value,
bool  use_lowest,
std::string  constraints_file_name,
Size  query_size,
utility::vector1< std::string >  constrainable_atoms 
)

Prepare an AtomPair constraint - based score that utilizes some user-defined atoms.

Parameters:
priority- the priority for this scoring method. The lower the priority, the later the score will be evaluated Because a fragment may be discarded when a score is too low, the most accurate && meaningful scores should have the highest priority
lowest_acceptable_value- a fragment for which this score is below a certain threshold will be discarded
constraints_file_name- from this file AtomPair constraints will be obtained
query_size- the number of residues in the query sequence
constrainable_atoms- a vector of strings providing names of constrained atoms. On every do_cahing() event these && only these atoms will be cached from a chunk's pose

References protocols::frag_picker::scores::AtomBasedConstraintsScore::get_query_size().

protocols::frag_picker::scores::AtomPairConstraintsScore::AtomPairConstraintsScore ( Size  priority,
Real  lowest_acceptable_value,
bool  use_lowest,
std::string  constraints_file_name,
Size  query_size 
)

Prepare an AtomPair constraint - based score that utilizes N, C, CA, O && CB atoms.

Detailed: These atoms that will be cached when a new
chunk is considered (i.e. at every do_caching() call)
Parameters:
priority- the priority for this scoring method. The lower the priority, the later the score will be evaluated Because a fragment may be discarded when a score is too low, the most accurate && meaningful scores should have the highest priority
lowest_acceptable_value- a fragment for which this score is below a certain threshold will be discarded
constraints_file_name- from this file AtomPair constraints will be obtained
query_size- the number of residues in the query sequence

References protocols::frag_picker::scores::AtomBasedConstraintsScore::get_query_size().


Member Function Documentation

bool protocols::frag_picker::scores::AtomPairConstraintsScore::cached_score ( FragmentCandidateOP  fragment,
FragmentScoreMapOP  scores 
) [virtual]

The documentation for this class was generated from the following files:
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