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/* $Id */
/**********************************************************************
* cbf2adscimg_sub -- jiffy to read a CBF file and make an adsc (SMV) *
* image file. *
* *
* Version 0.1 *
* *
* Chris Nielsen (cn@adsc-xray.com) *
* *
* Code starting point taken from cbfwrap.c *
* *
* cbfwrap.c: *
* Harry Powell (harry@mrc-lmb.cam.ac.uk) *
* developed from makecbf by *
* Paul Ellis (ellis@ssrl.slac.stanford.edu) *
**********************************************************************/
/**********************************************************************
* NOTICE *
* Creative endeavors depend on the lively exchange of ideas. There *
* are laws and customs which establish rights and responsibilities *
* for authors and the users of what authors create. This notice *
* is not intended to prevent you from using the software and *
* documents in this package, but to ensure that there are no *
* misunderstandings about terms and conditions of such use. *
* *
* Please read the following notice carefully. If you do not *
* understand any portion of this notice, please seek appropriate *
* professional legal advice before making use of the software and *
* documents included in this software package. In addition to *
* whatever other steps you may be obliged to take to respect the *
* intellectual property rights of the various parties involved, if *
* you do make use of the software and documents in this package, *
* please give credit where credit is due by citing this package, *
* its authors and the URL or other source from which you obtained *
* it, or equivalent primary references in the literature with the *
* same authors. *
* *
* Some of the software and documents included within this software *
* package are the intellectual property of various parties, and *
* placement in this package does not in any way imply that any *
* such rights have in any way been waived or diminished. *
* *
* With respect to any software or documents for which a copyright *
* exists, ALL RIGHTS ARE RESERVED TO THE OWNERS OF SUCH COPYRIGHT. *
* *
* Even though the authors of the various documents and software *
* found here have made a good faith effort to ensure that the *
* documents are correct and that the software performs according *
* to its documentation, and we would greatly appreciate hearing of *
* any problems you may encounter, the programs and documents any *
* files created by the programs are provided **AS IS** without any *
* warranty as to correctness, merchantability or fitness for any *
* particular or general use. *
* *
* THE RESPONSIBILITY FOR ANY ADVERSE CONSEQUENCES FROM THE USE OF *
* PROGRAMS OR DOCUMENTS OR ANY FILE OR FILES CREATED BY USE OF THE *
* PROGRAMS OR DOCUMENTS LIES SOLELY WITH THE USERS OF THE PROGRAMS *
* OR DOCUMENTS OR FILE OR FILES AND NOT WITH AUTHORS OF THE *
* PROGRAMS OR DOCUMENTS. *
**********************************************************************/
/**********************************************************************
* The IUCr Policy *
* on *
* the Use of the Crystallographic Information File (CIF) *
* *
* The Crystallographic Information File (Hall, Allen & Brown, *
* 1991) is, as of January 1992, the recommended method for *
* submitting publications to Acta Crystallographica Section C. The *
* International Union of Crystallography holds the Copyright on *
* the CIF, and has applied for Patents on the STAR File syntax *
* which is the basis for the CIF format. *
* *
* It is a principal objective of the IUCr to promote the use of *
* CIF for the exchange and storage of scientific data. The IUCr's *
* sponsorship of the CIF development was motivated by its *
* responsibility to its scientific journals, which set the *
* standards in crystallographic publishing. The IUCr intends that *
* CIFs will be used increasingly for electronic submission of *
* manuscripts to these journals in future. The IUCr recognises *
* that, if the CIF and the STAR File are to be adopted as a means *
* for universal data exchange, the syntax of these files must be *
* strictly and uniformly adhered to. Even small deviations from *
* the syntax would ultimately cause the demise of the universal *
* file concept. Through its Copyrights and Patents the IUCr has *
* taken the steps needed to ensure strict conformance with this *
* syntax. *
* *
* The IUCr policy on the use of the CIF and STAR File processes is *
* as follows: *
* _________________________________________________________________ *
* *
* * 1 CIFs and STAR Files may be generated, stored or transmitted, *
* without permission or charge, provided their purpose is not *
* specifically for profit or commercial gain, and provided that *
* the published syntax is strictly adhered to. *
* * 2 Computer software may be developed for use with CIFs or STAR *
* files, without permission or charge, provided it is distributed *
* in the public domain. This condition also applies to software *
* for which a charge is made, provided that its primary function *
* is for use with files that satisfy condition 1 and that it is *
* distributed as a minor component of a larger package of *
* software. *
* * 3 Permission will be granted for the use of CIFs and STAR Files *
* for specific commercial purposes (such as databases or network *
* exchange processes), and for the distribution of commercial *
* CIF/STAR software, on written application to the IUCr Executive *
* Secretary, 2 Abbey Square, Chester CH1 2HU, England. The *
* nature, terms and duration of the licences granted will be *
* determined by the IUCr Executive and Finance Committees. *
* *
* _________________________________________________________________ *
* *
* In summary, the IUCr wishes to promote the use of the STAR File *
* concepts as a standard universal data file. It will insist on *
* strict compliance with the published syntax for all *
* applications. To assist with this compliance, the IUCr provides *
* public domain software for checking the logical integrity of a *
* CIF, and for validating the data name definitions contained *
* within a CIF. Detailed information on this software, and the *
* associated dictionaries, may be obtained from the IUCr Office at *
* 5 Abbey Square, Chester CH1 2HU, England. *
**********************************************************************/
#include "cbf.h"
#include "cbf_simple.h"
#include <stdlib.h>
#include <stdio.h>
#include <string.h>
#include <ctype.h>
#include <time.h>
#undef cbf_failnez
#define cbf_failnez(x) \
{int err; \
err = (x); \
if (err) { \
fprintf(stderr,"\nCBFlib fatal error %x \n",err); \
fprintf(stderr,"caused by call " #x "\n"); \
} \
}
static char * array_id;
static void puthd (char* field, char* value, char* header)
{
char temp[6];
int i, diff;
char *hp, *vp, *tp, *fp;
/*
* find the } marking the end of the information in the header
*/
for ( hp=header; *hp != '}'; hp++);
/*
* Write the field name starting at the position of the }
*/
for ( fp=field; *fp!=0; hp++, fp++) *hp = *fp;
/*
* The field and the values are seperated by an = sign
*/
*hp++ = '=';
/*
* Write the field name starting at the position of the }
*/
for ( vp=value; *vp!=0; hp++, vp++) *hp = *vp;
/*
* End this field with a ; and new line
* and mark the end of the header with a }
*/
*hp++ = ';';
*hp++ = 10;
*hp++ = '}';
/*
* Make the header a multiple of 4 by padding with spaces
*/
i = (int) (hp-header);
diff = 4 - i%4;
if ( diff < 4 )
for (i=0; i<diff; i++) *hp++=' ';
/*
* Write the header length field
*/
sprintf (temp, "%5d", (int) (hp-header));
for (i=0,hp=header+15,tp=temp; i<5; i++) *hp++ = *tp++;
}
static void clrhd ( char* header )
{
static char temp[] = "{ HEADER_BYTES";
header[0] = '}';
temp[1]= 10;
puthd (temp, " 0", header);
}
static void padhd (char* header, int size)
{
int i, diff;
char temp[6], *hp, *tp;
/*
* find the } marking the end of the header
*/
for ( hp=header; *hp != '}'; hp++); hp++;
/*
* End this field with a ; and new line
* and mark the end of the header with a }
*/
*hp++ = 0x0c; /* ASA 7/2/96, redone as hex HJB 1/22/2008 */
/* *hp++ = 10;*/
/*
* Make the header a multiple of "size" by padding with spaces
*/
i = (int) (hp-header);
diff = size - i%size;
if ( diff < size )
for (i=0; i<diff; i++) *hp++=' ';
/*
* Write the header length field
*/
sprintf (temp, "%5d", (int) (hp-header));
for (i=0,hp=header+15,tp=temp; i<5; i++) *hp++ = *tp++;
}
static int cbfhandle2img_sub(cbf_handle cbf, char **header, unsigned short **data)
{
cbf_detector this_detector;
int id, index;
int i, k, colrow, first, second,dirsta[2], dirend[2], dirinc[2];
size_t nelem_read;
double pixel_size, gain, wavelength, distance, phi_start, phi_range;
double beam_centre[4];
int overload, dimension[2], precedence[2];
const char *detector;
const char *smv_header;
unsigned short *ushort_data, *up;
unsigned int *uint_data, *ip;
int header_length;
int make_smv_header_from_cbf;
char *char_header;
char *hp, *hpe, *hpequal;
char field[80], value[80];
char *fps, *fpe, *vps, *vpe, *cp;
const char *direction [2];
CBF_UNUSED( dirinc );
CBF_UNUSED( dirend );
CBF_UNUSED( dirsta );
CBF_UNUSED( second );
CBF_UNUSED( first );
CBF_UNUSED( colrow );
/*
* Legal, but uninteresting case.
*/
if(NULL == data && NULL == header)
return(0);
/* Get the image identifier */
cbf_failnez (cbf_rewind_datablock (cbf))
/* There may be two different ways to define the array_id we need. */
if (cbf_find_category (cbf, "diffrn_frame_data") !=0 )
cbf_failnez (cbf_find_category (cbf, "diffrn_data_frame"))
cbf_failnez (cbf_find_column (cbf, "array_id"))
cbf_failnez (cbf_rewind_row (cbf))
cbf_failnez (cbf_get_value (cbf, (const char **)&array_id))
/* Get the image dimensions (second dimension = fast, first = slow) */
cbf_failnez (cbf_find_category (cbf, "array_structure_list"))
cbf_failnez (cbf_rewind_row (cbf))
cbf_failnez (cbf_find_column (cbf, "array_id"))
dimension[0] = 0;
dimension[1] = 0;
while (cbf_find_nextrow (cbf, array_id) == 0)
{
cbf_failnez (cbf_find_column (cbf, "index"))
cbf_failnez (cbf_get_integervalue (cbf, &index))
i = index;
cbf_failnez (cbf_find_column (cbf, "precedence"))
cbf_failnez (cbf_get_integervalue (cbf, &index))
if (index >= 1 && index <= 2)
precedence[i-1] = index;
cbf_failnez (cbf_find_column (cbf, "dimension"))
cbf_failnez (cbf_get_integervalue (cbf, &dimension[i-1]))
cbf_failnez (cbf_find_column (cbf, "direction"))
cbf_failnez (cbf_get_value (cbf, &direction[i-1]))
cbf_failnez (cbf_find_column (cbf, "array_id"))
}
if (dimension [0] == 0 || dimension [1] == 0)
return (1);
/*
* If we locate the diffrn_frame_data.details column then
* the header from the original image is stored there.
*
* This becomes the header of the output image without
* modification. This could change, with CBF header items
* duplicating original header items superceeding the
* original SMV header values.
*/
make_smv_header_from_cbf = 0;
if(NULL != header)
{
make_smv_header_from_cbf = 1;
if(0 == cbf_find_category (cbf, "diffrn_frame_data") || 0 == cbf_find_category(cbf, "diffrn_data_frame"))
{
if(0 == cbf_find_column (cbf, "details"))
{
cbf_failnez(cbf_get_value (cbf, &smv_header))
if(0)
fprintf(stdout,"Embedded SMV header in CBF header is:\n%s\n", smv_header);
/*
* Construct the SMV header directly from this item.
*/
if(NULL == (hp = strstr(smv_header, "HEADER_BYTES")))
{
fprintf(stderr,"cbf2adscimg_sub: HEADER_BYTES not found in item diffrn_data_frame.details\n");
fprintf(stderr,"\tIt is assumed this item contains the original SMV image header.\n");
fprintf(stderr,"\tTry to reconstruct an SMV header from the CBF header items.\n");
}
else
{
if (NULL == (hpequal = strstr(hp, "=")))
{
fprintf(stderr,"cbf2adscimg_sub: HEADER_BYTES value not found in item diffrn_data_frame.details\n");
fprintf(stderr,"\tIt is assumed this item contains the original SMV image header.\n");
fprintf(stderr,"\tTry to reconstruct an SMV header from the CBF header items.\n");
}
else
{
sscanf(hpequal + 1, "%d", &header_length);
if(0)
fprintf(stdout,"header length decoded as: %d\n", header_length);
if(NULL == (char_header = (char *) malloc(header_length)))
{
fprintf(stderr,"cbf2adscimg_sub: Error allocating %d bytes for header\n",
header_length);
return(1);
}
clrhd(char_header);
hpe = ((char *) smv_header) + strlen(smv_header);
while (hp && hp <= hpe && *hp
&& *hp != ';' && *hp != '\n'
&& *hp != '\r') hp++;
while (hp && hp <= hpe && *hp && *hp != '\n' && *hp != '\r') hp++;
if (hp && *hp == '\n') hp++;
while(hp && hp <= hpe && *hp )
{
int tokencnt, tokenstate;
fps = hp;
while (fps <= hpe && (isspace(*fps)||*fps=='#')) fps++;
fpe = strstr(hp, "=");
fpe--;
vps = fpe + 2;
vpe = strstr(hp, ";");
vpe--;
for(i = tokencnt = tokenstate = 0, cp = fps; cp <= fpe; ) {
if (isspace(*cp)) {
tokenstate = 1;
} else {
if (tokenstate) tokencnt++;
tokenstate = 0;
}
field[i++] = *cp++;
}
if (tokencnt > 0) break;
field[i] = '\0';
for(i = 0, cp = vps; cp <= vpe; )
value[i++] = *cp++;
value[i] = '\0';
puthd(field, value, char_header);
padhd(char_header, 512);
hp = vpe + 3;
}
if(0)
fprintf(stdout,"Reconstructed header:\n%s\n", char_header);
make_smv_header_from_cbf = 0;
*header = char_header;
}
}
}
}
}
if(make_smv_header_from_cbf)
{
/* Detector */
if (cbf_find_category (cbf, "diffrn_detector") == 0)
{
cbf_failnez (cbf_find_column (cbf, "id"))
cbf_failnez(cbf_get_value (cbf, &detector))
}
/* Crystal to detector distance - obsolete, use diffrn_scan_axis detector_z
if ((cbf_find_category (cbf, "diffrn_measurement") == 0) &&
(cbf_find_column (cbf, "sample_detector_distance") == 0) &&
(cbf_get_doublevalue (cbf, &distance) == 0) &&
(cbf_get_doublevalue (cbf, &distance) == 0) ) {
cbf_double[1] = distance;
}
else {
cbf_double[1] = -999.0;
}
*/
/* hrp 18.01.2007 - new simple way to read header info, using CBFlib 0.7.6.1 + img.c/img.h*/
cbf_get_wavelength (cbf, &wavelength);
/* if (cbf_find_category (cbf, "diffrn_radiation_wavelength") == 0) {
cbf_failnez (cbf_find_column (cbf, "wavelength"))
cbf_failnez(cbf_get_doublevalue (cbf, &wavelength))
}
*/
i = cbf_construct_detector (cbf, &this_detector, 0);
fprintf(stdout, "return from cbf_construct_detector: %x (hex)\n", i);
/* b_c[0],[1] slow and fast changing direction in pixels, [2],[3] in mm. */
cbf_get_beam_center (this_detector, &beam_centre [0], &beam_centre [1], &beam_centre [2], &beam_centre [3]);
printf("beam centre values = %f %f %f %f\n", beam_centre [0], beam_centre [1], beam_centre [2], beam_centre [3]);
cbf_get_detector_distance (this_detector, &distance);
/* printf("distance from header is %f metres\n",cbf_double[1]);
if ((cbf_find_category (cbf, "diffrn_scan_axis") == 0) &&
(cbf_find_column (cbf, "displacement_start") == 0) &&
(cbf_find_column (cbf, "SCAN1") == 0) &&
(cbf_get_doublevalue (cbf, &distance) == 0) &&
(cbf_get_doublevalue (cbf, &distance) == 0) ) {
cbf_double[1] = distance;
}
else {
cbf_double[1] = -999.0;
}
*/
/*
scan angle and size - assume PHI for the moment
cbf_get_axis_setting (cbf, 0, "GONIOMETER_OMEGA", &phi_start, &phi_range);
cbf_double[5] = phi_start;
cbf_double[7] = phi_range;
cbf_double[6] = phi_range + phi_start;
printf("omega range is %f %f %f \n",cbf_double[5],cbf_double[6],cbf_double[7]);
cbf_get_axis_setting (cbf, 0, "GONIOMETER_KAPPA", &phi_start, &phi_range);
cbf_double[5] = phi_start;
cbf_double[7] = phi_range;
cbf_double[6] = phi_range + phi_start;
printf("kappa range is %f %f %f \n",cbf_double[5],cbf_double[6],cbf_double[7]);
*/
cbf_get_axis_setting (cbf, 0, "GONIOMETER_PHI", &phi_start, &phi_range);
/* printf("phi range is %f %f %f \n",cbf_double[5],cbf_double[6],cbf_double[7]); */
/* Pixel size(s) */
if (cbf_find_category (cbf, "array_element_size") == 0 ){
cbf_failnez (cbf_find_column (cbf, "index"))
cbf_failnez (cbf_get_integervalue (cbf, &index))
cbf_failnez (cbf_find_column (cbf, "size"))
cbf_failnez (cbf_get_doublevalue (cbf, &pixel_size))
cbf_failnez(cbf_next_row (cbf))
cbf_failnez (cbf_find_column (cbf, "index"))
cbf_failnez (cbf_get_integervalue (cbf, &index))
cbf_failnez (cbf_find_column (cbf, "size"))
cbf_failnez (cbf_get_doublevalue (cbf, &pixel_size))
}
else {
}
/* other pixel information */
if (cbf_find_category (cbf, "array_intensities") == 0) {
cbf_failnez (cbf_find_column (cbf, "gain"))
cbf_failnez (cbf_get_doublevalue (cbf, &gain))
cbf_failnez (cbf_find_column (cbf, "overload"))
cbf_failnez (cbf_get_integervalue (cbf, &overload))
}
else {
}
/* Polarization of the incident radiation - daft definition at the moment
so this code is serving only as a place-holder
if (cbf_find_category (cbf, "diffrn_radiation_polarizn_ratio") == 0) {
cbf_failnez (cbf_get_doublevalue (cbf, &polarrat))
cbf_double[8] = polarrat;
cbf_failnez (cbf_find_column (cbf, "polarization_collimation"))
cbf_failnez (cbf_get_value (cbf, &polarcoll))
strcpy(&cbf_char[6][0],polarcoll);
}
else {
cbf_double[8] = -999.0;
strcpy(cbf_char[6][0],"unspecified collimation");
}
*/
}
/*
* If the user has supplied NULL for data (return only header info) return.
*/
if(NULL == data)
return(0);
/*
* Extract the data block.
*
* This routine allocates the memory needed to output the data.
* The caller is responsible for freeing this memory after use.
*/
if(NULL == (uint_data = (unsigned int *) malloc(dimension[0] * dimension[1] * sizeof (unsigned int))))
{
fprintf(stderr, "cbfhandle2img: Error allocating %lu bytes of memory for integer data image\n",
(unsigned long)dimension[0] * dimension[1] * sizeof (unsigned int));
return(1);
}
if(NULL == (ushort_data = (unsigned short *) malloc(dimension[0] * dimension[1] * sizeof (unsigned short))))
{
fprintf(stderr, "cbfhandle2img: Error allocating %lu bytes of memory for unsigned short data image\n",
(unsigned long)dimension[0] * dimension[1] * sizeof (unsigned short));
return(1);
}
/* Find the binary data */
cbf_failnez (cbf_find_category (cbf, "array_data"))
cbf_failnez (cbf_find_column (cbf, "array_id"))
/* fprintf(stderr,"array id: %s\n",array_id); */
cbf_failnez (cbf_rewind_row (cbf))
cbf_failnez (cbf_find_row (cbf, array_id))
cbf_failnez (cbf_find_column (cbf, "data"))
cbf_failnez (cbf_get_integerarray (cbf, &id, uint_data, sizeof(int), 1, dimension[0] * dimension[1], &nelem_read))
/*
* first we need to decide which way round the image should be read into the
* array. This depends on things like the precedence and direction
*/
if(strcmp (direction[0],"increasing") == 0){
dirsta[0] = dimension[0] - 1;
dirend[0] = -1;
dirinc[0] = -1;
}
else {
dirsta[0] = 0;
dirend[0] = dimension[0];
dirinc[0] = 1;
}
if(strcmp (direction[1],"increasing") == 0){
dirsta[1] = 0;
dirend[1] = dimension[1];
dirinc[1] = 1;
}
else{
dirsta[1] = dimension[1];
dirend[1] = -1;
dirinc[1] = -1;
}
if (precedence[0]==1){
first = 1;
second = 0;
}
else{
first = 0;
second = 1;
}
colrow = 0;
up = ushort_data;
ip = uint_data;
k = dimension[0] * dimension[1];
for(i = 0; i < k; i++)
*up++ = (unsigned short) (0x0000ffff & *ip++);
*data = ushort_data;
free(uint_data);
/* Success */
return(0);
}
int cbf2adscimg_sub(char *filename, char **header, unsigned short **data)
{
FILE *in;
cbf_handle cbf;
int err;
/* Create the cbf handle for the image file*/
cbf_failnez (cbf_make_handle (&cbf))
/* Read the file */
if (NULL == ( in = fopen (filename, "rb")))
{
fprintf (stderr, " Couldn't open the CBF file %s\n", filename);
return (1);
}
/* check for CBF format file */
if(1 == (err = (cbf_read_file (cbf, in, MSG_DIGESTNOW))))
return(1);
err = cbfhandle2img_sub(cbf, header, data);
cbf_failnez (cbf_free_handle (cbf))
return(err);
}
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