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ccp4_parser.c File Reference

Functions to read in and "parse" CCP4-style keyworded input. More...

#include <stdio.h>
#include <stdlib.h>
#include <string.h>
#include <float.h>
#include <math.h>
#include "ccp4_parser.h"
#include "ccp4_errno.h"
#include "ccp4_sysdep.h"

Defines

#define CPARSER_ERRNO(n)   (CCP4_ERR_PARS | (n))
#define CPARSERR_Ok   0
#define CPARSERR_MaxTokExceeded   1
#define CPARSERR_AllocFail   2
#define CPARSERR_NullPointer   3
#define CPARSERR_LongLine   4
#define CPARSERR_CantOpenFile   5
#define CPARSERR_NoName   6
#define CPARSERR_ExpOverflow   7
#define CPARSERR_ExpUnderflow   8
#define CPARSERR_MatToSymop   9
#define CPARSERR_SymopToMat   10

Functions

CCP4PARSERARRAY * ccp4_parse_start (const int maxtokens)
int ccp4_parse_end (CCP4PARSERARRAY *parsePtr)
int ccp4_parse_init_token (const CCP4PARSERARRAY *parsePtr, const int itok)
int ccp4_parse_reset (CCP4PARSERARRAY *parsePtr)
int ccp4_parse_delimiters (CCP4PARSERARRAY *parsePtr, const char *delim, const char *nulldelim)
int ccp4_parse_comments (CCP4PARSERARRAY *parsePtr, const char *comment_chars)
int ccp4_parse_maxmin (CCP4PARSERARRAY *parsePtr, const double max_exponent, const double min_exponent)
int ccp4_parse (const char *line, CCP4PARSERARRAY *parser)
int ccp4_parser (char *line, const int nchars, CCP4PARSERARRAY *parser, const int print)
int ccp4_keymatch (const char *keyin1, const char *keyin2)
char * strtoupper (char *str1, const char *str2)
char * strtolower (char *str1, const char *str2)
int strmatch (const char *str1, const char *str2)
int charmatch (const char character, const char *charlist)
int doublefromstr (const char *str, const double max_exp, const double min_exp, double *valuePtr, double *intvaluePtr, int *intdigitsPtr, double *frcvaluePtr, int *frcdigitsPtr, double *expvaluePtr, int *expdigitsPtr)
ccp4_symop symop_to_rotandtrn (const char *symchs_begin, const char *symchs_end)
const char * symop_to_mat4 (const char *symchs_begin, const char *symchs_end, float *rot)
int symop_to_mat4_err (const char *symop)
ccp4_symop mat4_to_rotandtrn (const float rsm[4][4])
char * rotandtrn_to_symop (char *symchs_begin, char *symchs_end, const ccp4_symop symop)
void rotandtrn_to_mat4 (float rsm[4][4], const ccp4_symop symop)
char * mat4_to_symop (char *symchs_begin, char *symchs_end, const float rsm[4][4])
char * mat4_to_recip_symop (char *symchs_begin, char *symchs_end, const float rsm[4][4])

Detailed Description

Functions to read in and "parse" CCP4-style keyworded input.

Author:
Peter Briggs
Date:
April 2001

Function Documentation

int ccp4_keymatch (  const char *    keyin1,
const char *    keyin2
) 
 

Test whether two keywords are identical. Keywords are identical if they are the same up to the first four characters, independent of case.

Parameters:
keyin1  keyword 1.
keyin2  keyword 2.
Returns:
1 if keywords keyin1 and keyin2 are "identical", 0 otherwise.

int ccp4_parse_end (  CCP4PARSERARRAY *    parsePtr ) 
 

Cleans up a CCP4PARSEARRAY after being used by ccp4_parse/ ccp4_parser functions.

Parameters:
parsePtr  pointer to a CCP4PARSERARRAY structure
Returns:
0 on completion

CCP4PARSERARRAY* ccp4_parse_start (  const int    maxtokens ) 
 

Initialise a CCP4PARSERARRAY to be used in subsequent calls to ccp4_parser routines. The calling function must supply the maximum number of tokens on a line (including continuation lines).

Parameters:
maxtokens  maximum number of tokens on a line
Returns:
pointer to a new CCP4PARSERARRAY structure

int ccp4_parser (  char *    line,
const int    n,
CCP4PARSERARRAY *    parser,
const int    print
) 
 

The main function for parsing lines, either supplied or read from stdin.

Parameters:
line  pointer to a null-terminated string of characters, forming the input to be processed. On input can either be an empty string ("") which forces reading from stdin, or contain characters to be processed. On output "line" will be overwritten with the actual input line.
n  maximum number of characters that can be read into "line" i.e. the size of "line" in memory.
parser  pointer to a CCP4PARSERARRAY structure which will be used to hold the results of processing the input line.
print  flag controlling echoing of input lines to stdout. print=0: suppress echoing of lines to stdout. Otherwise echoing is turned on.
Returns:
Number of tokens found.

char* mat4_to_recip_symop (  char *    symchs_begin,
char *    symchs_end,
const float    rsm[4][4]
) 
 

Convert symmetry operator as matrix to string in reciprocal space notation. This is Charles' version of symtr. Note that translations are held in elements [*][3] and [3][3] is set to 1.0

Parameters:
symchs_begin  pointer to beginning of string
symchs_end  pointer to end of string (i.e. last character is *(symchs_end-1) )
rsm  4 x 4 matrix operator
Returns:
pointer to beginning of string

char* mat4_to_symop (  char *    symchs_begin,
char *    symchs_end,
const float    rsm[4][4]
) 
 

Convert symmetry operator as matrix to string. This is Charles' version of symtr. Note that translations are held in elements [*][3] and [3][3] is set to 1.0

Parameters:
symchs_begin  pointer to beginning of string
symchs_end  pointer to end of string (i.e. last character is *(symchs_end-1) )
rsm  4 x 4 matrix operator
Returns:
pointer to beginning of string

char* strtolower (  char *    str1,
const char *    str2
) 
 

Convert string to lowercase.

Parameters:
str1  On exit str1 will contain lowercased copy of str2
str2  Input string
Returns:
str1

char* strtoupper (  char *    str1,
const char *    str2
) 
 

Convert string to uppercase.

Parameters:
str1  On exit str1 will contain uppercased copy of str2
str2  Input string
Returns:
str1

const char* symop_to_mat4 (  const char *    symchs_begin,
const char *    symchs_end,
float *    rot
) 
 

Convert symmetry operator as string to matrix. This is Charles' version of symfr. Note that translations are held in elements [*][3] and [3][3] is set to 1.0

Parameters:
symchs_begin  pointer to beginning of string
symchs_end  pointer to end of string (i.e. last character is *(symchs_end-1) )
rot  4 x 4 matrix operator
Returns:
NULL on error, final position pointer on success

ccp4_symop symop_to_rotandtrn (  const char *    symchs_begin,
const char *    symchs_end
) 
 

Convert symmetry operator as string to ccp4_symop struct.

Parameters:
symchs_begin  pointer to beginning of string
symchs_end  pointer to end of string (i.e. last character is *(symchs_end-1) )
Returns:
pointer to ccp4_symop struct