diff options
author | taw27 <taw27@bf6ca9ba-c028-0410-8290-897cf20841d1> | 2007-10-04 10:34:54 +0000 |
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committer | taw27 <taw27@bf6ca9ba-c028-0410-8290-897cf20841d1> | 2007-10-04 10:34:54 +0000 |
commit | e3a59f0de58d873837252d4decdd8f727392fad7 (patch) | |
tree | df9dff6bfd8633065467492a2dc25c216041ce12 /src/dirax.c | |
parent | 6c4cc88d5248507a3ce9970e1ed8eca60b60952a (diff) |
Tidy-up
git-svn-id: svn://cook.msm.cam.ac.uk:745/diff-tomo/dtr@153 bf6ca9ba-c028-0410-8290-897cf20841d1
Diffstat (limited to 'src/dirax.c')
-rw-r--r-- | src/dirax.c | 12 |
1 files changed, 11 insertions, 1 deletions
diff --git a/src/dirax.c b/src/dirax.c index 79ad808..aadc82d 100644 --- a/src/dirax.c +++ b/src/dirax.c @@ -52,6 +52,11 @@ static void dirax_parseline(const char *line, ControlContext *ctx) { printf("DX: DirAx: %s\n", copy); free(copy); + if ( strstr(line, "reflections from file") ) { + displaywindow_error("DirAx can't understand this data.", ctx->dw); + return; + } + /* Is this the first line of a unit cell specification? */ rf = 0; i = 0; while ( (i<strlen(line)) && ((line[i] == 'R') || (line[i] == 'D') || (line[i] == ' ')) ) { @@ -361,9 +366,14 @@ void dirax_invoke(ControlContext *ctx) { } fprintf(fh, "%f\n", 0.5); /* Lie about the wavelength. DirAx can't handle the truth. */ ref = ctx->reflectionlist->reflections; + int i=0; while ( ref ) { - fprintf(fh, "%f %f %f %f\n", ref->x/1e10, ref->y/1e10, ref->z/1e10, ref->intensity); + fprintf(fh, "%10f %10f %10f %8f\n", ref->x/1e10, ref->y/1e10, ref->z/1e10, ref->intensity); ref = ref->next; + i++; + if ( i==14 ) { + printf("%10f %10f %10f %8f\n", ref->x/1e10, ref->y/1e10, ref->z/1e10, ref->intensity); + } } fclose(fh); |