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Commit e345fec7 authored by Thomas White's avatar Thomas White
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Introduce render_hkl for superfluous graphics

parent ff008752
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.gitignore
View file @ e345fec7
......@@ -13,4 +13,5 @@ src/hdfsee
src/indexamajig
src/compare_hkl
src/powder_plot
src/render_hkl
*~
src/Makefile.am
View file @ e345fec7
bin_PROGRAMS = pattern_sim process_hkl get_hkl indexamajig compare_hkl \
powder_plot
powder_plot render_hkl
if HAVE_GTK
bin_PROGRAMS += hdfsee
......@@ -46,4 +46,7 @@ powder_plot_SOURCES = powder_plot.c cell.c utils.c image.c hdf5-file.c \
detector.c
powder_plot_LDADD = @LIBS@
render_hkl_SOURCES = render_hkl.c cell.c reflections.c utils.c
render_hkl_LDADD = @LIBS@
INCLUDES = "-I$(top_srcdir)/data"
src/Makefile.in
View file @ e345fec7
......@@ -34,7 +34,7 @@ PRE_UNINSTALL = :
POST_UNINSTALL = :
bin_PROGRAMS = pattern_sim$(EXEEXT) process_hkl$(EXEEXT) \
get_hkl$(EXEEXT) indexamajig$(EXEEXT) compare_hkl$(EXEEXT) \
powder_plot$(EXEEXT) $(am__EXEEXT_1)
powder_plot$(EXEEXT) render_hkl$(EXEEXT) $(am__EXEEXT_1)
@HAVE_GTK_TRUE@am__append_1 = hdfsee
@HAVE_OPENCL_TRUE@am__append_2 = diffraction-gpu.c cl-utils.c
@HAVE_OPENCL_TRUE@am__append_3 = diffraction-gpu.c cl-utils.c
......@@ -100,6 +100,10 @@ am_process_hkl_OBJECTS = process_hkl.$(OBJEXT) sfac.$(OBJEXT) \
reflections.$(OBJEXT)
process_hkl_OBJECTS = $(am_process_hkl_OBJECTS)
process_hkl_DEPENDENCIES =
am_render_hkl_OBJECTS = render_hkl.$(OBJEXT) cell.$(OBJEXT) \
reflections.$(OBJEXT) utils.$(OBJEXT)
render_hkl_OBJECTS = $(am_render_hkl_OBJECTS)
render_hkl_DEPENDENCIES =
DEFAULT_INCLUDES = -I.@am__isrc@ -I$(top_builddir)
depcomp = $(SHELL) $(top_srcdir)/depcomp
am__depfiles_maybe = depfiles
......@@ -122,11 +126,12 @@ am__v_GEN_ = $(am__v_GEN_$(AM_DEFAULT_VERBOSITY))
am__v_GEN_0 = @echo " GEN " $@;
SOURCES = $(compare_hkl_SOURCES) $(get_hkl_SOURCES) $(hdfsee_SOURCES) \
$(indexamajig_SOURCES) $(pattern_sim_SOURCES) \
$(powder_plot_SOURCES) $(process_hkl_SOURCES)
$(powder_plot_SOURCES) $(process_hkl_SOURCES) \
$(render_hkl_SOURCES)
DIST_SOURCES = $(compare_hkl_SOURCES) $(get_hkl_SOURCES) \
$(am__hdfsee_SOURCES_DIST) $(am__indexamajig_SOURCES_DIST) \
$(am__pattern_sim_SOURCES_DIST) $(powder_plot_SOURCES) \
$(process_hkl_SOURCES)
$(process_hkl_SOURCES) $(render_hkl_SOURCES)
ETAGS = etags
CTAGS = ctags
DISTFILES = $(DIST_COMMON) $(DIST_SOURCES) $(TEXINFOS) $(EXTRA_DIST)
......@@ -248,6 +253,8 @@ powder_plot_SOURCES = powder_plot.c cell.c utils.c image.c hdf5-file.c \
detector.c
powder_plot_LDADD = @LIBS@
render_hkl_SOURCES = render_hkl.c cell.c reflections.c utils.c
render_hkl_LDADD = @LIBS@
INCLUDES = "-I$(top_srcdir)/data"
all: all-am
......@@ -341,6 +348,9 @@ powder_plot$(EXEEXT): $(powder_plot_OBJECTS) $(powder_plot_DEPENDENCIES)
process_hkl$(EXEEXT): $(process_hkl_OBJECTS) $(process_hkl_DEPENDENCIES)
@rm -f process_hkl$(EXEEXT)
$(AM_V_CCLD)$(LINK) $(process_hkl_OBJECTS) $(process_hkl_LDADD) $(LIBS)
render_hkl$(EXEEXT): $(render_hkl_OBJECTS) $(render_hkl_DEPENDENCIES)
@rm -f render_hkl$(EXEEXT)
$(AM_V_CCLD)$(LINK) $(render_hkl_OBJECTS) $(render_hkl_LDADD) $(LIBS)
mostlyclean-compile:
-rm -f *.$(OBJEXT)
......@@ -369,6 +379,7 @@ distclean-compile:
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/process_hkl.Po@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/reflections.Po@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/render.Po@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/render_hkl.Po@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/sfac.Po@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/statistics.Po@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/utils.Po@am__quote@
......
src/render_hkl.c 0 → 100644
View file @ e345fec7
/*
* render_hkl.c
*
* Draw pretty renderings of reflection lists
*
* (c) 2006-2010 Thomas White <taw@physics.org>
*
* Part of CrystFEL - crystallography with a FEL
*
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
#include <stdarg.h>
#include <stdlib.h>
#include <stdio.h>
#include <string.h>
#include <unistd.h>
#include <getopt.h>
#include <sys/types.h>
#include <sys/wait.h>
#include "utils.h"
#include "reflections.h"
static void show_help(const char *s)
{
printf("Syntax: %s [options] <file.hkl>\n\n", s);
printf(
"Render intensity lists using POVray.\n"
"\n"
" -h, --help Display this help message.\n"
"\n");
}
int main(int argc, char *argv[])
{
int c;
UnitCell *cell;
char *infile;
double *ref1;
signed int h, k, l;
unsigned int *c1;
FILE *fh;
double asx, asy, asz;
double bsx, bsy, bsz;
double csx, csy, csz;
pid_t pid;
float max;
/* Long options */
const struct option longopts[] = {
{"help", 0, NULL, 'h'},
{0, 0, NULL, 0}
};
/* Short options */
while ((c = getopt_long(argc, argv, "h", longopts, NULL)) != -1) {
switch (c) {
case 'h' : {
show_help(argv[0]);
return 0;
}
case 0 : {
break;
}
default : {
return 1;
}
}
}
infile = argv[optind];
cell = load_cell_from_pdb("molecule.pdb");
c1 = new_list_count();
ref1 = read_reflections(infile, c1);
if ( ref1 == NULL ) {
ERROR("Couldn't open file '%s'\n", infile);
return 1;
}
fh = fopen("render.pov", "w");
fprintf(fh, "/* POV-Ray scene written by Synth3D */\n\n");
fprintf(fh, "#include \"colors.inc\"\n");
fprintf(fh, "#include \"textures.inc\"\n\n");
fprintf(fh, "global_settings {\n");
fprintf(fh, " assumed_gamma 1.0\n");
fprintf(fh, " ambient_light 5.0\n");
fprintf(fh, "}\n\n");
/* First quarter */
fprintf(fh, "#if ( (clock >= 0) & (clock <= 124) )\n");
fprintf(fh, "camera { location <0.0, -3.0, 0.0>"
" sky z direction 1.1*y\n"
" right -x*(image_width/image_height)\n"
" look_at <0.0, 0.0, 0.0> }\n\n");
fprintf(fh, "#end\n");
/* Second quarter */
fprintf(fh, "#if ( (clock >= 125) & (clock <= 250) )\n");
fprintf(fh, "camera { location <0.0, -(2.0+cos((clock-125)*(180/125))), 0.0>"
" sky z direction 1.1*y\n"
" right -x*(image_width/image_height)\n"
" look_at <0.0, 0.0, 0.0> }\n\n");
fprintf(fh, "#end\n");
/* Third quarter */
fprintf(fh, "#if ( (clock >= 250) & (clock <= 374) )\n");
fprintf(fh, "camera { location <0.0, -3.0, 0.0>"
" sky z direction 1.1*y\n"
" right -x*(image_width/image_height)\n"
" look_at <0.0, 0.0, 0.0> }\n\n");
fprintf(fh, "#end\n");
/* Fourth quarter */
fprintf(fh, "#if ( (clock >= 375) & (clock <= 500) )\n");
fprintf(fh, "camera { location <0.0, -(2.0+cos((clock-375)*(180/125))+180), 0.0>"
" sky z direction 1.1*y\n"
" right -x*(image_width/image_height)\n"
" look_at <0.0, 0.0, 0.0> }\n\n");
fprintf(fh, "#end\n");
fprintf(fh, "light_source { <-3.0 -3.0 3.0> White }\n");
fprintf(fh, "light_source { <+3.0 -3.0 3.0> White }\n");
fprintf(fh, "light_source { <0.0, -3.0, 0.0> 2*White }\n");
fprintf(fh, "plane {z,-2.0 pigment { rgb <0.0, 0.0, 0.1> } }\n");
fprintf(fh, "plane {-z,-2.0 pigment { rgb <0.0, 0.0, 0.05> } }\n\n");
cell_get_reciprocal(cell, &asx, &asy, &asz,
&bsx, &bsy, &bsz,
&csx, &csy, &csz);
fprintf(fh, "#declare WC = (720/19);\n");
fprintf(fh, "#declare TRANS = \n");
fprintf(fh, "transform {\n");
/* First half */
/* Acceleration */
fprintf(fh, "#if ( clock <= 24 )\n"
"rotate <0, 0, 0.5*WC*(clock/25)*(clock/25)>\n"
"#end\n"
/* Cruise */
"#if ( (clock >= 25) & (clock <= 224) )\n"
"rotate <0, 0, (WC/2)+WC*((clock-25)/25)>\n"
"#end\n"
/* Overlap */
/* Deceleration */
"#if ( (clock >= 225) & (clock <= 274) )\n"
"rotate <0, 0, 360-WC + WC*((clock-225)/25) "
" - 0.5*(WC/2)*((clock-225)/25)*((clock-225)/25) >\n"
"#end\n"
/* Acceleration */
"#if ( (clock >= 225) & (clock <= 274) )\n"
"rotate <0.5*(WC/2)*((clock-225)/25)*((clock-225)/25), 0, 0>\n"
"#end\n"
/* Second half */
/* Cruise */
"#if ( (clock >= 275) & (clock <= 474) )\n"
"rotate <WC+WC*((clock-275)/25), 0, 0>\n"
"#end\n"
/* Deceleration */
"#if ( (clock >= 475) & (clock <= 499) )\n"
"rotate <360-(WC/2)+ WC*((clock-475)/25) "
" - 0.5*WC*((clock-475)/25)*((clock-475)/25), 0, 0 >\n"
"#end\n");
fprintf(fh, "}\n");
max = 0.5e6;
for ( h=-INDMAX; h<INDMAX; h++ ) {
for ( k=-INDMAX; k<INDMAX; k++ ) {
for ( l=-INDMAX; l<INDMAX; l++ ) {
float radius, x, y, z;
int s;
float val, p, r, g, b, trans;
if ( !lookup_count(c1, h, k, l) ) continue;
val = lookup_intensity(ref1, h, k, l);
val = max-val;
s = val / (max/6);
p = fmod(val, max/6);
p /= (max/6);
r = 0; g = 0; b = 0;
if ( (val < 0.0) ) {
s = 0;
p = 1.0;
}
if ( (val > max) ) {
s = 6;
}
switch ( s ) {
case 0 : { /* Black to blue */
r = 0.0; g = 0.0; b = p;
break;
}
case 1 : { /* Blue to green */
r = 0.0; g = p; b = 1.0-p;
break;
}
case 2 : { /* Green to red */
r =p; g = 1.0-p; b = 0.0;
break;
}
case 3 : { /* Red to Orange */
r = 1.0; g = 0.5*p; b = 0.0;
break;
}
case 4 : { /* Orange to Yellow */
r = 1.0; g = 0.5 + 0.5*p; b = 0.0;
break;
}
case 5 : { /* Yellow to White */
r = 1.0; g = 1.0; b = 1.0*p;
break;
}
case 6 : { /* Pixel has hit the maximum value */
r = 1.0; g = 1.0; b = 1.0;
break;
}
}
val = max-val;
if ( val <= 0.0 ) continue;
radius = 0.1 * sqrt(sqrt(val))/1e2;
radius -= 0.005;
if ( radius > 0.03 ) radius = 0.03;
if ( radius <= 0.0 ) continue;
trans = (0.03-radius)/0.03;
radius += 0.002;
x = asx*h + bsx*k + csx*l;
y = asy*h + bsy*k + csy*l;
z = asz*h + bsz*k + csz*l;
fprintf(fh, "sphere { <%.5f, %.5f, %.5f>, %.5f "
"texture{pigment{color rgb <%f, %f, %f>"
" transmit %f} "
"finish { reflection 0.1 } } \n"
"transform { TRANS }\n"
"}\n",
x/1e9, y/1e9, z/1e9, radius, r, g, b, trans);
}
}
}
fprintf(fh, "\n");
fclose(fh);
pid = fork();
if ( !( (pid != 0) && (pid != -1) ) ) {
if ( pid == -1 ) {
fprintf(stderr, "fork() failed.\n");
} else {
/* Forked successfully, child process */
execlp("povray", "", "+W320", "+H240",
"+Irender.pov", "+Orender.png",
"+KFI0", "+KFF499", "+KI0", "+KF499",
// "+SF220", "+EF280",
NULL);
}
} else {
int r;
waitpid(pid, &r, 0);
}
return 0;
}
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