ReturnCode.hpp File Reference

Definition of constants in namespace CDPL::Confgen::ReturnCode. More...

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Namespaces
	CDPL
	The namespace of the Chemical Data Processing Library.
	CDPL::ConfGen
	Contains classes and functions related to conformer ensemble generation.
	CDPL::ConfGen::ReturnCode
	Provides constants that are used to describe the result of operations related to conformer generation.

Variables
const int	CDPL::ConfGen::ReturnCode::SUCCESS = 0
	Operation completed successfully. More...
const int	CDPL::ConfGen::ReturnCode::UNINITIALIZED = 1
	The operation could not be carried out due to uninitialized input data. More...
const int	CDPL::ConfGen::ReturnCode::TIMEOUT = 2
	The operation was terminated because the configured wall clock time limit was exceeded. More...
const int	CDPL::ConfGen::ReturnCode::ABORTED = 3
	The operation was terminated through the registered abort callback. More...
const int	CDPL::ConfGen::ReturnCode::FORCEFIELD_SETUP_FAILED = 4
	The MMFF94 force field parameterization step failed (typically due to missing/ambiguous parameters under strict mode). More...
const int	CDPL::ConfGen::ReturnCode::FORCEFIELD_MINIMIZATION_FAILED = 5
	The MMFF94 energy-minimization step failed to converge or produced an invalid result. More...
const int	CDPL::ConfGen::ReturnCode::FRAGMENT_LIBRARY_NOT_SET = 6
	No fragment library has been configured (required for fragment-based structure generation). More...
const int	CDPL::ConfGen::ReturnCode::FRAGMENT_CONF_GEN_FAILED = 7
	Conformer generation for at least one fragment failed. More...
const int	CDPL::ConfGen::ReturnCode::FRAGMENT_CONF_GEN_TIMEOUT = 8
	Conformer generation for at least one fragment timed out. More...
const int	CDPL::ConfGen::ReturnCode::FRAGMENT_ALREADY_PROCESSED = 9
	The submitted fragment has already been processed. More...
const int	CDPL::ConfGen::ReturnCode::TORSION_DRIVING_FAILED = 10
	The torsion-driving step failed. More...
const int	CDPL::ConfGen::ReturnCode::CONF_GEN_FAILED = 11
	The overall conformer generation pipeline failed. More...
const int	CDPL::ConfGen::ReturnCode::TOO_MUCH_SYMMETRY = 12
	The molecule exhibits too high a symmetry to enumerate all symmetry mappings within the configured limit. More...
const int	CDPL::ConfGen::ReturnCode::MAX_ROT_BOND_COUNT_EXCEEDED = 13
	The input molecule's rotatable bond count exceeds the configured maximum. More...
const int	CDPL::ConfGen::ReturnCode::NO_FIXED_SUBSTRUCT_COORDS = 14
	A fixed substructure was specified but no 3D coordinates were supplied for it. More...

Detailed Description

Definition of constants in namespace CDPL::Confgen::ReturnCode.