1 /* 2 cmap_close.c: close map file 3 Copyright (C) 2001 CCLRC, Charles Ballard 4 5 This library is free software: you can redistribute it and/or 6 modify it under the terms of the GNU Lesser General Public License 7 version 3, modified in accordance with the provisions of the 8 license to address the requirements of UK law. 9 10 You should have received a copy of the modified GNU Lesser General 11 Public License along with this library. If not, copies may be 12 downloaded from http://www.ccp4.ac.uk/ccp4license.php 13 14 This program is distributed in the hope that it will be useful, 15 but WITHOUT ANY WARRANTY; without even the implied warranty of 16 MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the 17 GNU Lesser General Public License for more details. 18 */ 19 #include <string.h> 20 #include <math.h> 21 #include <stdarg.h> 22 #include "cmaplib.h" 23 #include "cmap_header.h" 24 #include "cmap_labels.h" 25 #include "cmap_errno.h" 26 27 /*! Close the file. 28 In write mode the header is output, along with the machine 29 stamp. In read mode the file is just closed. 30 Write mode supports ways of updating the map statistics ( 31 only active for FLOAT32). 32 /param mfile (CMMFile *) 33 /return void */ ccp4_cmap_close(CMMFile * mfile)34void ccp4_cmap_close(CMMFile *mfile) 35 { 36 int i; 37 38 if ( mfile == NULL) 39 return; 40 41 if (ccp4_file_is_write(mfile->stream) ) { 42 if ( mfile->data_mode == FLOAT32) { 43 switch (mfile->close_mode) { 44 case 1: 45 break; 46 case 2: 47 mfile->stats.offset = 0.0f; 48 case 0: 49 default: 50 if (mfile->stats.total != 0) { 51 mfile->stats.mean /= mfile->stats.total; 52 mfile->stats.rms /= mfile->stats.total; 53 mfile->stats.rms -= mfile->stats.mean*mfile->stats.mean; 54 mfile->stats.rms = (mfile->stats.rms > 0) ? sqrt(mfile->stats.rms) : 0; 55 mfile->stats.mean += (double) mfile->stats.offset; 56 } 57 break; 58 } 59 } 60 write_mapheader(mfile); 61 write_maplabels(mfile); 62 ccp4_file_warch(mfile->stream); 63 } 64 ccp4_file_close(mfile->stream); 65 for (i=0 ; i != mfile->labels.number ; i++) 66 if (mfile->labels.labels[i] != NULL) 67 free(mfile->labels.labels[i]); 68 free(mfile); 69 } 70 71 /*! Set the close mode: 72 0: calculate based on stored values (default) 73 1: just dump the current values 74 /param mfile (CMMFile *) 75 /param mask (unsigned int) close mode 76 /return void */ ccp4_cmap_closemode(CMMFile * mfile,unsigned int mask)77void ccp4_cmap_closemode(CMMFile *mfile, unsigned int mask) 78 { 79 mfile->close_mode = mask; 80 } 81