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Defines | |
#define | GENERALDEFINES_VERSION "1.0.2" |
#define | GENERALDEFINES_DATE "29-Jan-2003" |
#define | RETROFLUX_DEBUG 0 |
If FLUX_DEBUG is set to 1 some debug information is written to the output file. | |
#define | BOOLEAN_FALSE 0 |
Simulates the boolean value false . | |
#define | BOOLEAN_TRUE 1 |
Simulates the boolean value true . | |
#define | DAYLIGHT_SMILES 1 |
If parameter daylight_type in SmilesCompound_create is set to DAYLIGHT_SMILES a SMILES is created. | |
#define | DAYLIGHT_SMIRKS 2 |
If parameter daylight_type in SmilesCompound_create is set to DAYLIGHT_SMIRKS a SMIRKS is created. | |
#define | DAYLIGHT_SMARTS 3 |
If parameter daylight_type in SmilesCompound_create is set to DAYLIGHT_SMARTS a SMARTS is created. | |
#define | AbortProgram fprintf( stderr, "Program aborted.\n\n" ), exit( EXIT_FAILURE ) |
Final part of the abortion sequence of the program. | |
#define | MemoryError(Variable, Function) |
Indicates a fatal memory error. | |
#define | FileReadError(FileName) |
Indicates a read error of an input file. | |
#define | FileWriteError(FileName) |
Indicates a write error of an output file. | |
#define | FileIntegrityError(FileName, Row, Columns, ColumnsBefore) |
Indicates a file integrity error of an input file. | |
#define | OptionIncompatibility(Option, NotOrExclusively, RegardedOptions) |
Indicates an incompatibility of command line arguments/options. | |
#define | MandatoryOption(Option) |
Indicates a missing command line arguments/options that is mandatory. | |
#define | IndexOutOfBoundsError(StructureName, NumberOfElements, Index) |
Indicates an index out of bounds error. |
24/11/2003 - Uli Fechner - v1.0.1 - modifications to comply to the needs of flux
29/01/2004 - Tina Grabowski - v1.0.2 - added DAYLIGHT_SMILES, DAYLIGHT_SMIRKS DAYLIGHT_SMARTS
Definition in file generalDefines.h.
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Final part of the abortion sequence of the program. If a detectable error occurs during runtime the program initiates an abortion sequence. This consists of printing a message on standard error that is related to the error and this define to print a final message and exit the program with the exit code EXIT_FAILURE. Such detectable errors include wrong command line arguments, missing input files, inconsistent input files, index out of bounds errors, memory allocation errors and so on.
Definition at line 90 of file generalDefines.h. Referenced by CLP_destroy(), DoubleArray_copy(), DoubleArray_destroy(), DoubleArray_display(), DoubleArray_displayIntegers(), getFileProperties(), GivenClp_destroy(), GivenClp_getOption(), GivenClp_setOption(), List_create(), List_destroy(), List_getNext(), List_remove(), List_removeHead(), List_removeTail(), parseClp(), SmilesCompound_destroy(), and StringArray_destroy(). |
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Simulates the boolean value Together with BOOLEAN_TRUE a boolean variable is simulated in C.
Definition at line 37 of file generalDefines.h. |
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Simulates the boolean value Together with BOOLEAN_FALSE a boolean variable is simulated in C.
Definition at line 47 of file generalDefines.h. |
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If parameter
Definition at line 74 of file generalDefines.h. Referenced by SmilesCompound_create(), and SmilesCompound_setSmiles(). |
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If parameter
Definition at line 56 of file generalDefines.h. Referenced by enqueueMolecules(), filterMolecules(), main(), SmilesCompound_create(), and SmilesCompound_setSmiles(). |
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If parameter
Definition at line 65 of file generalDefines.h. Referenced by main(), SmilesCompound_create(), and SmilesCompound_setSmiles(). |
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Value: fprintf( stderr, "\n\nERROR: File error.\n" ), \ fprintf( stderr, "\nFile %s does not contain the same number of columns in all rows!\n", FileName ), \ fprintf( stderr, "Row %d has %d columns, rows before have %d columns.\n", Row, Columns, ColumnsBefore ), \ AbortProgram If a file integrity error of an input file occurs at any time during program execution, this define is called. It prints a message on standard error and calls the define AbortProgram. A file integrity error means that an input file has not the same number of columns in all of its rows.
Definition at line 156 of file generalDefines.h. Referenced by getFileProperties(). |
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Value: fprintf( stderr, "\n\nERROR: File error.\n" ), \ fprintf( stderr, "\nCould not read from %s!\n", FileName ), \ AbortProgram If a read error of an input file occurs at any time during program execution, this define is called. It prints a message on standard error and calls the define AbortProgram.
Definition at line 120 of file generalDefines.h. Referenced by readDataFromFile(). |
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Value: fprintf( stderr, "\n\nERROR: File error.\n" ), \ fprintf( stderr, "\nCould not write to %s!\n", FileName ), \ AbortProgram If a write error of an output file occurs at any time during program execution, this define is called. It prints a message on standard error and calls the define AbortProgram.
Definition at line 136 of file generalDefines.h. Referenced by main(). |
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Definition at line 17 of file generalDefines.h. Referenced by displayVersionInformation(). |
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Definition at line 16 of file generalDefines.h. Referenced by displayVersionInformation(). |
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Value: fprintf( stderr, "\n\nERROR: Index out of bounds.\n" ), \ fprintf( stderr, "Structure %s has only %d elements.\n", StructureName, NumberOfElements ), \ fprintf( stderr, "These are indexed from 0 to %d.\n", NumberOfElements - 1), \ fprintf( stderr, "There is no element with index %d!\n\n", Index ), \ AbortProgram If an element of a structure is accessed that is not available this define is called. Such a situation might occur, if the index of the element is bigger than the number of elements the structure has. The access could be a read or a write operation. An appropriate message is printed on standard error and the define AbortProgram is called.
Definition at line 218 of file generalDefines.h. Referenced by DoubleArray_getValue(), DoubleArray_setValue(), and StringArray_getElement(). |
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Value: fprintf( stderr, "\nERROR: The %s option is mandatory!\n", Option ), \ fprintf( stderr, "Type 'retroflux -h' for a detailed help text!\n"), \ AbortProgram
The term
Definition at line 198 of file generalDefines.h. Referenced by parseClp(). |
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Value: fprintf( stderr, "\n\nERROR: Fatal memory error.\n" ), \ fprintf( stderr, "Allocation of memory for %s in function %s failed.\n", Variable, Function ), \ AbortProgram If allocation of memory fails at any time during program execution, this define is called. It prints an appropriate message on standard error and calls the define AbortProgram.
Definition at line 104 of file generalDefines.h. Referenced by CLP_create(), CLP_setErrorLogFile(), CLP_setFilterFile(), CLP_setOutputFile(), CLP_setReactionFile(), CLP_setSmartsFile(), DoubleArray_copy(), DoubleArray_create(), DoubleArray_createWithIdentifier(), enqueueMolecules(), filterMolecules(), getFileProperties(), GivenClp_create(), List_create(), List_insert(), List_insertHead(), List_insertTail(), List_setName(), parseClp(), readDataFromStream(), SmilesCompound_addName(), SmilesCompound_copy(), SmilesCompound_create(), SmilesCompound_setName(), SmilesCompound_setSmiles(), StringArray_concatenate(), StringArray_copy(), StringArray_createWithSpecifiedArraySize(), StringArray_extend(), and StringArray_mapConcatenate(). |
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Value: fprintf( stderr, "\nERROR: The %s option may %s ", Option, NotOrExclusively ), \ fprintf( stderr, "be used together with the %s option!\n", RegardedOptions ), \ fprintf( stderr, "Type 'speedcats -h' for a detailed help text!\n"), \ AbortProgram
The term
Definition at line 178 of file generalDefines.h. |
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If FLUX_DEBUG is set to 1 some debug information is written to the output file.
Definition at line 27 of file generalDefines.h. |