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Data Structures | |
struct | CommandLineParameters |
Defines | |
#define | CLP_VERSION "1.0.1" |
#define | CLP_DATE "09-JUN-2004" |
Typedefs | |
typedef CommandLineParameters * | CLP_Ptr |
A pointer to structure CommandLineParameters is assigned the name CLP_Ptr . | |
Functions | |
CLP_Ptr | CLP_create (void) |
Creates a CommandLineParameters structure. | |
void | CLP_destroy (CLP_Ptr clpPtr) |
Destroys a structure CommandLineParameters. | |
void | CLP_display (const CLP_Ptr clpPtr, FILE *outputStream) |
Displays a structure CommandLineParameters. | |
void | CLP_setOutputFile (const CLP_Ptr clpPtr, const char *const name) |
The name of the output file is set. | |
char * | CLP_getOutputFile (const CLP_Ptr clpPtr) |
The name of the output file is returned. | |
void | CLP_setSmartsFile (const CLP_Ptr clpPtr, const char *const name) |
The name of the Smarts file is set. | |
char * | CLP_getSmartsFile (const CLP_Ptr clpPtr) |
The name of the Smarts file is returned. | |
void | CLP_setErrorLogFile (const CLP_Ptr clpPtr, const char *const name) |
The name of the error log file is set. | |
char * | CLP_getErrorLogFile (const CLP_Ptr clpPtr) |
The name of the error log file is returned. | |
void | CLP_setMatchingType (const CLP_Ptr clpPtr, const int matchingType) |
Sets the number of the matching type. | |
int | CLP_getMatchingType (const CLP_Ptr clpPtr) |
The number of the matching type is returned. | |
void | CLP_setUniqueSmiles (const CLP_Ptr clpPtr, const int boolean) |
Sets whether or not the input file is filtered to yield unique SMILES. | |
int | CLP_getUniqueSmiles (const CLP_Ptr clpPtr) |
Returns whether or not the input file is filtered to yield unique SMILES. |
This structure provides a fault-tolerant way to store the values of all command line arguments. The values are set to their default values during the creation of the structure via CLP_create. The memory allocation of the members of the structure is managed automatically.
The structure is created with CLP_create, destroyed with CLP_destroy and displayed with CLP_display. With CLP_setnameOfVariable and CLP_getnameOfVariable the values of the individual members of the structure CommandLineParameters could be set or gotten.
Whenever a string is set the provided string is copied via strncpy
. Hence, the string provided as an argument has to be freed by the caller of the function.
Description of the members:
outputFile
- string containing the name of the output file.
reactionFile
- string storing the name of the reaction file.
errorLogFile
- string storing the name of the SMILES error log file.
09/06/2003 - Uli Fechner - v1.0.1 - modified according to the needs of countSmarts \code
Definition in file clp.c.
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Definition at line 3 of file clp.c. Referenced by displayVersionInformation(). |
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Definition at line 2 of file clp.c. Referenced by displayVersionInformation(). |
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A pointer to structure CommandLineParameters is assigned the name
Definition at line 43 of file clp.c. Referenced by CLP_create(), main(), and parseClp(). |
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Creates a CommandLineParameters structure. The structure CommandLineParameters is created. The memory of the structure itself and the members of the structure is allocated automatically. The values of the individual command line parameters are set to default values as written in the help text.
Definition at line 85 of file clp.c. References BOOLEAN_FALSE, CLP_Ptr, CLP_setErrorLogFile(), CLP_setMatchingType(), CLP_setOutputFile(), CLP_setSmartsFile(), CLP_setUniqueSmiles(), and MemoryError. Referenced by main(). |
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Destroys a structure CommandLineParameters.
The structure CommandLineParameters the pointer
Definition at line 113 of file clp.c. References AbortProgram, CLP_getErrorLogFile(), CLP_getOutputFile(), and CLP_getSmartsFile(). Referenced by main(). |
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Displays a structure CommandLineParameters.
The structure CommandLineParameters the pointer
Definition at line 144 of file clp.c. References BOOLEAN_FALSE, CLP_getErrorLogFile(), CLP_getMatchingType(), CLP_getOutputFile(), CLP_getSmartsFile(), and CLP_getUniqueSmiles(). Referenced by main(). |
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The name of the error log file is returned.
Definition at line 229 of file clp.c. References CommandLineParameters::errorLogFile. Referenced by CLP_destroy(), CLP_display(), and main(). |
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The number of the matching type is returned.
Definition at line 296 of file clp.c. References CommandLineParameters::matchingType. Referenced by CLP_display(), and main(). |
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The name of the output file is returned.
Definition at line 194 of file clp.c. References CommandLineParameters::outputFile. Referenced by CLP_destroy(), CLP_display(), main(), and parseClp(). |
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The name of the Smarts file is returned.
Definition at line 264 of file clp.c. References CommandLineParameters::smartsFile. Referenced by CLP_destroy(), CLP_display(), and main(). |
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Returns whether or not the input file is filtered to yield unique SMILES.
Definition at line 320 of file clp.c. References CommandLineParameters::uniqueSmiles. Referenced by CLP_display(), and main(). |
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The name of the error log file is set.
Definition at line 210 of file clp.c. References CommandLineParameters::errorLogFile, and MemoryError. Referenced by CLP_create(), and parseClp(). |
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Sets the number of the matching type.
Definition at line 276 of file clp.c. References AbortProgram, and CommandLineParameters::matchingType. Referenced by CLP_create(), and parseClp(). |
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The name of the output file is set.
Definition at line 175 of file clp.c. References MemoryError, and CommandLineParameters::outputFile. Referenced by CLP_create(), and parseClp(). |
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The name of the Smarts file is set.
Definition at line 245 of file clp.c. References MemoryError, and CommandLineParameters::smartsFile. Referenced by CLP_create(), and parseClp(). |
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Sets whether or not the input file is filtered to yield unique SMILES.
Definition at line 308 of file clp.c. References CommandLineParameters::uniqueSmiles. Referenced by CLP_create(), and parseClp(). |