?? parse_pdbq_line.cc
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/* parse_pdbq_line.cc */#ifdef sgi #include <stdio.h> #include <string.h> #include <ctype.h> #include "parse_pdbq_line.h" #include "pdbqtokens.h"#else extern "C" { #include <stdio.h> #include <string.h> #include <ctype.h> #include "parse_pdbq_line.h" #include "pdbqtokens.h" }#endifextern FILE *logFile;int parse_pdbq_line( char line[LINE_LEN] )/******************************************************************************//* Name: parse_pdbq_line *//* Function: Parse the PDBQ file line. *//* Copyright: (C) 1994, TSRI *//*----------------------------------------------------------------------------*//* Author: Garrett Morris, The Scripps Research Institute *//* Date: 11/06/93 *//*----------------------------------------------------------------------------*//* Inputs: line *//* Returns: integer token describing the keyword found. *//* Globals: none. *//*----------------------------------------------------------------------------*//* Modification Record *//* Date Inits Comments *//* 11/06/93 GMM Entered code. *//******************************************************************************/{ int l, i, token = PDBQ_UNRECOGNIZED; char c[LINE_LEN]; if ((l = strindex(line, " ")) == -1) { l = strlen(line); } for (i=0; i<l && i<(LINE_LEN-1); i++) { c[i] = (char)tolower( (int)line[i] ); } c[i] = '\0'; if ((c[0]=='\n')||(c[0]=='\0')) { token = PDBQ_NULL; } else if (l >= 4) { if ((strncmp(c,"rema",4)==0) || (strncmp(c,"user",4)==0)) { token = PDBQ_REMARK; } else if (strncmp(c,"root",4)==0) { token = PDBQ_ROOT; } else if (strncmp(c,"endr",4)==0) { token = PDBQ_ENDROOT; } else if (strncmp(c,"atom",4)==0) { token = PDBQ_ATOM; } else if (strncmp(c,"heta",4)==0) { token = PDBQ_HETATM; } else if ((strncmp(c,"tors",4)==0) && (strncmp(c,"torsdof",7)!=0)) { token = PDBQ_TORS; } else if ((strlen(c) >= 7) && (strncmp(c,"torsdof",7)==0)) { token = PDBQ_TORSDOF; } else if (strncmp(c,"tdof",4)==0) { token = PDBQ_TORSDOF; } else if (strncmp(c,"endt",4)==0) { token = PDBQ_ENDTORS; } else if (strncmp(c,"bran",4)==0) { token = PDBQ_BRANCH; } else if (strncmp(c,"endb",4)==0) { token = PDBQ_ENDBRANCH; } else if (strncmp(c,"cons",4)==0) { token = PDBQ_CONSTRAINT; } } else { token = PDBQ_NULL; } return( token );}/* EOF */
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