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/* Core cparser functions */
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/** Initialise a CCP4PARSERARRAY to be used in subsequent calls to
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* ccp4_parser routines. The calling function must supply the maximum
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* number of tokens on a line (including continuation lines).
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* @param maxtokens maximum number of tokens on a line
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* @return pointer to a new CCP4PARSERARRAY structure
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CCP4PARSERARRAY* ccp4_parse_start(const int maxtokens);
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/** Cleans up a CCP4PARSEARRAY after being used by ccp4_parse/
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ccp4_parser functions.
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* @param parsePtr pointer to a CCP4PARSERARRAY structure
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* @return 0 on completion
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int ccp4_parse_end(CCP4PARSERARRAY *parsePtr);
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int ccp4_parse_init_token(const CCP4PARSERARRAY *parsePtr, const int itok);
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int ccp4_parse_delimiters(CCP4PARSERARRAY *parsePtr, const char *delim,
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const char *nulldelim);
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int ccp4_parse_comments(CCP4PARSERARRAY *parsePtr, const char *comment_chars);
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int ccp4_parse_maxmin(CCP4PARSERARRAY *parsePtr, const double max_exponent,
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const double min_exponent);
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int ccp4_parse_reset(CCP4PARSERARRAY *parsePtr);
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int ccp4_parse(const char *line, CCP4PARSERARRAY *parser);
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/** The main function for parsing lines, either supplied or read
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* @param line pointer to a null-terminated string of characters,
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* forming the input to be processed. On input can either be an empty
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* string ("") which forces reading from stdin, or contain characters
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* to be processed. On output "line" will be overwritten with the actual
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* @param n maximum number of characters that can be read into
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* "line" i.e. the size of "line" in memory.
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* @param parser pointer to a CCP4PARSERARRAY structure which will
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* be used to hold the results of processing the input line.
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* @param print flag controlling echoing of input lines to stdout.
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* print=0: suppress echoing of lines to stdout. Otherwise echoing is
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* @return Number of tokens found.
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int ccp4_parser(char *line, const int n, CCP4PARSERARRAY *parser,
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216
const int print);
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/* External utility functions */
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/** Test whether two keywords are identical. Keywords are identical if
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* they are the same up to the first four characters, independent of case.
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* @param keyin1 keyword 1.
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* @param keyin2 keyword 2.
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* @return 1 if keywords keyin1 and keyin2 are "identical", 0 otherwise.
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int ccp4_keymatch(const char *keyin1, const char *keyin2);
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/* Internal utility functions */
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/** Convert string to uppercase.
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* @param str1 On exit str1 will contain uppercased copy of str2
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* @param str2 Input string
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char *strtoupper (char *str1, const char *str2);
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char *strtolower (char *str1, const char *str2);
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int strmatch (const char *str1, const char *str2);
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int charmatch(const char character, const char *charlist);
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int doublefromstr(const char *str, const double max_exp, const double min_exp,
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double *valuePtr, double *intvaluePtr, int *intdigitsPtr,
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double *frcvaluePtr, int *frcdigitsPtr,
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double *expvaluePtr, int *expdigitsPtr);
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/** Convert symmetry operator as string to ccp4_symop struct.
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* @param symchs_begin pointer to beginning of string
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* @param symchs_end pointer to end of string (i.e. last character
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* is *(symchs_end-1) )
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* @return pointer to ccp4_symop struct
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ccp4_symop symop_to_rotandtrn(const char *symchs_begin, const char *symchs_end);
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/** Convert symmetry operator as string to matrix.
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* This is Charles' version of symfr. Note that translations
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* are held in elements [*][3] and [3][3] is set to 1.0
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* @param symchs_begin pointer to beginning of string
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* @param symchs_end pointer to end of string (i.e. last character
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* is *(symchs_end-1) )
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* @param rot 4 x 4 matrix operator
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* @return NULL on error, final position pointer on success
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const char * symop_to_mat4(const char *symchs_begin, const char *symchs_end, float *rot);
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static int symop_to_mat4_err(const char *symop);
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int symop_to_mat4_err(const char *symop);
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270
ccp4_symop mat4_to_rotandtrn(const float rsm[4][4]);
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/* This is Charles' version of symtr */
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char *rotandtrn_to_symop(char *symchs_begin, char *symchs_end, const ccp4_symop symop);
205
275
void rotandtrn_to_mat4(float rsm[4][4], const ccp4_symop symop);
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/** Convert symmetry operator as matrix to string.
278
* This is Charles' version of symtr. Note that translations
279
* are held in elements [*][3] and [3][3] is set to 1.0
280
* @param symchs_begin pointer to beginning of string
281
* @param symchs_end pointer to end of string (i.e. last character
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* is *(symchs_end-1) )
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* @param rsm 4 x 4 matrix operator
284
* @return pointer to beginning of string
206
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char *mat4_to_symop(char *symchs_begin, char *symchs_end, const float rsm[4][4]);
288
/** Convert symmetry operator as matrix to string in reciprocal space notation.
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* This is Charles' version of symtr. Note that translations
290
* are held in elements [*][3] and [3][3] is set to 1.0
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* @param symchs_begin pointer to beginning of string
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* @param symchs_end pointer to end of string (i.e. last character
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* is *(symchs_end-1) )
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* @param rsm 4 x 4 matrix operator
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* @return pointer to beginning of string
207
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char *mat4_to_recip_symop(char *symchs_begin, char *symchs_end, const float rsm[4][4]);
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#ifdef __cplusplus
added
removed
src/ccp4_parser.h
