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gmx::analysismodules::anonymous_namespace{dssp.cpp}::SecondaryStructuresData Class Reference

Description

Describes and manipulates secondary structure attributes of a residue.

Public Member Functions

void setSecondaryStructureType (SecondaryStructureTypes secondaryStructureTypeName)
 Function that sets status of specific secondary structure to a residue.
 
void setHelixPosition (HelixPositions helixPosition, TurnsTypes turn)
 Function that sets status of specific helix position of specific turns' type to a residue.
 
void setBreak (SecondaryStructuresData *breakPartner)
 Function that sets status "Break" to a residue and its break partner.
 
void setBridge (std::size_t bridgePartnerIndex, BridgeTypes bridgeType)
 Function that sets status "Bridge" or "Anti-Bridge" to a residue and its bridge partner.
 
const std::vector< std::size_t > & getBridges (BridgeTypes bridgeType)
 Function that returns array of residue's bridges indexes.
 
bool isBreakPartnerWith (const SecondaryStructuresData *partner) const
 Function that returns boolean status of break existence with another specific residue.
 
bool hasBreaks () const
 Function that returns boolean status of break existence within residue.
 
bool hasBridges (BridgeTypes bridgeType) const
 Function that returns boolean status of bridge existence with another specific residue.
 
HelixPositions getHelixPosition (TurnsTypes turn) const
 Returns which part (None/Start/Middle/End/StartAndEnd) of a helix is represented by turn.
 
SecondaryStructureTypes getSecondaryStructure () const
 Function that returns status of specific secondary structure in a residue.
 

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