FreeEnergyEnums.h File Reference

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Defines
#define	ENUMS_HPP
Enumerations
enum	Bool_t { kFalse = 0, kAlsoTrue = 1, kTrue = !kFalse }
enum	Bound_t { kLower, kUpper, kUnknownBound }
enum	feptask_t {   kUp, kDown, kStop, kGrow,   kFade, kNoGrow, kStepUp, kStepDown,   kStepGrow, kStepFade, kUnknownTask }
enum	Error_t { kNoProblem, kParsingProblem, kNAMD_Problem }
Variables
const double	kAlmostOne = 0.9999999999
const double	kAlmostMinusOne = -0.9999999999
const double	kALittle = 0.0000000001
const double	kPi = 3.1415926536

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Define Documentation

#define ENUMS_HPP

Copyright (c) 1995, 1996, 1997, 1998, 1999, 2000 by The Board of Trustees of the University of Illinois. All rights reserved. Definition at line 8 of file FreeEnergyEnums.h.

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Enumeration Type Documentation

enum Bool_t

Enumeration values: kFalse  kAlsoTrue  kTrue  Definition at line 10 of file FreeEnergyEnums.h. Referenced by AddAtoms(), ALambdaManager::GetLambdas(), GetRestraint(), ALambdaControl::IsActive(), ALambdaManager::IsEndOf_MCTI(), ALambdaControl::IsEndOf_MCTI(), ALambdaManager::IsEndOf_MCTI_Step(), ALambdaControl::IsEndOf_MCTI_Step(), ALambdaManager::IsFirstStep(), ALambdaControl::IsFirstStep(), AForcingDiheRestraint::IsForcing(), AForcingAngleRestraint::IsForcing(), AForcingDistRestraint::IsForcing(), AForcingPosRestraint::IsForcing(), ARestraint::IsForcing(), ALambdaManager::IsTimeToClearAccumulator(), ALambdaControl::IsTimeToClearAccumulator(), ALambdaManager::IsTimeToPrint(), ALambdaControl::IsTimeToPrint(), ALambdaManager::IsTimeToPrint_dU_dLambda(), ALambdaControl::IsTimeToPrint_dU_dLambda(), ReadPmfBlock(), ReadRestraints(), ReadTimeUnits(), AVector::Set(), ARestraintManager::ThereIsAForcingRestraint(), AForcingDiheRestraint::TwoTargets(), ABoundDiheRestraint::TwoTargets(), and AFixedDiheRestraint::TwoTargets(). {kFalse=0, kAlsoTrue=1, kTrue=!kFalse};

enum Bound_t

Enumeration values: kLower  kUpper  kUnknownBound  Definition at line 11 of file FreeEnergyEnums.h. Referenced by ABoundAngleRestraint::GetBound(), ABoundDistRestraint::GetBound(), ABoundPosRestraint::GetBound(), and GetRestraint(). {kLower, kUpper, kUnknownBound};

enum Error_t

Enumeration values: kNoProblem  kParsingProblem  kNAMD_Problem  Definition at line 14 of file FreeEnergyEnums.h. {kNoProblem, kParsingProblem, kNAMD_Problem};

enum feptask_t

Enumeration values: kUp  kDown  kStop  kGrow  kFade  kNoGrow  kStepUp  kStepDown  kStepGrow  kStepFade  kUnknownTask  Definition at line 12 of file FreeEnergyEnums.h. Referenced by ALambdaControl::GetTask(), and ReadPmfBlock(). {kUp, kDown, kStop, kGrow, kFade, kNoGrow, kStepUp, kStepDown, kStepGrow, kStepFade, kUnknownTask};

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Variable Documentation

const double kALittle = 0.0000000001

Definition at line 18 of file FreeEnergyEnums.h.

const double kAlmostMinusOne = -0.9999999999

Definition at line 17 of file FreeEnergyEnums.h.

const double kAlmostOne = 0.9999999999

Definition at line 16 of file FreeEnergyEnums.h.

const double kPi = 3.1415926536

Definition at line 19 of file FreeEnergyEnums.h. Referenced by GetRestraint().

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