RxDock 0.1.0
A fast, versatile, and open-source program for docking ligands to proteins and nucleic acids
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Protected Member Functions | Protected Attributes | Static Protected Attributes | List of all members
rxdock::unittest::ChromTest Class Reference
Inheritance diagram for rxdock::unittest::ChromTest:

Protected Member Functions

void SetUp () override
 
void TearDown () override
 
void setupWorkSpace ()
 
double rmsd (const CoordList &rc, const CoordList &c)
 
void measureRandOrMutateDiff (ChromElement *chrom, int nTrials, bool bMutate, double &meanDiff, double &minDiff, double &maxDiff)
 
void measureCrossoverDiff (ChromElement *chrom, int nTrials, double &meanDiff, double &minDiff, double &maxDiff)
 

Protected Attributes

ModelPtr m_recep_1koc
 
ModelPtr m_lig_1koc
 
DockingSitePtr m_site_1koc
 
ChromElementPtr m_chrom_1koc
 
AtomList m_atomList
 
BiMolWorkSpacePtr m_workSpace
 
SFAggPtr m_SF
 

Static Protected Attributes

static double TINY = 1E-4
 
The documentation for this class was generated from the following files:
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