#include "includes.h"
Go to the source code of this file.
Defines | |
#define | COUNTSMARTS_VERSION "0.1" |
#define | COUNTSMARTS_DATE "11-JUN-2004" |
Functions | |
int | main (int argc, char *argv[]) |
Main function of the program. | |
void | parseClp (const int argc, char *argv[], CLP_Ptr clpPtr) |
Parses the command line parameters. | |
List_Ptr | readDataFromFile (const char *const filename, const int transform, const int uniqueData,\FILE *errorLogFile) |
Reads the data of a file and stores it in a structure List. | |
List_Ptr | readDataFromStream (FILE *inputStream, const char *const nameOfStream,\const int daylight_type, const int uniqueData, FILE *errorLogFile) |
DoubleArrayPtr | getFileProperties (FILE *inputStream, const char *const nameOfStream) |
Examines the properties of a file stream. | |
void | displayHelpText () |
Displays the help text on standard error. | |
void | displayVersionInformation (void) |
Displays the version information text on standard error. | |
List_Ptr | readDataFromStream (FILE *inputStream, const char *const nameOfStream, const int daylight_type,\const int uniqueData, FILE *errorLogFile) |
Reads the data of a stream and stores it in a structure List. |
All other files are included here via the inclusion of the file includes.h.
Definition in file countSmarts.c.
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Definition at line 27 of file countSmarts.c. Referenced by displayHelpText(), displayVersionInformation(), and main(). |
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Definition at line 26 of file countSmarts.c. Referenced by displayHelpText(), displayVersionInformation(), and main(). |
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Displays the help text on standard error.
Definition at line 544 of file countSmarts.c. References COUNTSMARTS_DATE, and COUNTSMARTS_VERSION. Referenced by parseClp(). |
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Displays the version information text on standard error.
Definition at line 587 of file countSmarts.c. References CLP_DATE, CLP_VERSION, COUNTSMARTS_DATE, COUNTSMARTS_VERSION, DOUBLEARRAY_DATE, DOUBLEARRAY_VERSION, DOUBLELINKEDLIST_DATE, DOUBLELINKEDLIST_VERSION, GENERALDEFINES_DATE, GENERALDEFINES_VERSION, GIVENCLP_DATE, GIVENCLP_VERSION, INCLUDES_DATE, INCLUDES_VERSION, SMILESCOMPOUND_DATE, and SMILESCOMPOUND_VERSION. Referenced by parseClp(). |
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Examines the properties of a file stream. The number of columns, characters per column and the number of rows are counted and the result of this examination are stored in a structure DoubleArray. This DoubleArray contains three elements regarded to the properties of dataFile:
Definition at line 458 of file countSmarts.c. References AbortProgram, DoubleArray_create(), DoubleArray_setValue(), DoubleArrayPtr, FileIntegrityError, and MemoryError. Referenced by readDataFromStream(). |
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Parses the command line parameters. The command line parameters are parsed here. Additionally, it is checked whether the standard in is connected to a terminal. If this is the case, no input file is provided and the help text of the program is printed on standard error. It is also checked here if there are any incompatibilities of the options provided at the command line. If so, the program aborts with an appropriate error message.
Definition at line 220 of file countSmarts.c. References AbortProgram, BOOLEAN_FALSE, BOOLEAN_TRUE, CLP_getOutputFile(), CLP_Ptr, CLP_setErrorLogFile(), CLP_setMatchingType(), CLP_setOutputFile(), CLP_setSmartsFile(), CLP_setUniqueSmiles(), displayHelpText(), displayVersionInformation(), Given_CLP_Ptr, GivenClp_create(), GivenClp_destroy(), GivenClp_getOption(), GivenClp_setOption(), MandatoryOption, and MemoryError. Referenced by main(). |
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Reads the data of a file and stores it in a structure List.
Definition at line 308 of file countSmarts.c. References FileReadError, List_Ptr, and readDataFromStream(). Referenced by main(). |
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Reads the data of a stream and stores it in a structure List.
Definition at line 339 of file countSmarts.c. References BOOLEAN_FALSE, DoubleArray_getValue(), DoubleArrayPtr, getFileProperties(), List_create(), List_insertTail(), List_Ptr, MemoryError, SmilesCompound_create(), SmilesCompound_destroy(), SmilesCompound_display(), SmilesCompound_identical(), SmilesCompound_Ptr, StringArray_addElement(), StringArray_create(), StringArray_destroy(), StringArray_display(), StringArray_getNumberOfElements(), and StringArray_Ptr. Referenced by main(), and readDataFromFile(). |
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