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.

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

• src/gromacs/trajectoryanalysis/modules/dssp.cpp