From e345fec713fa747ed5af07310cd15ae93b04716b Mon Sep 17 00:00:00 2001 From: Thomas White Date: Wed, 21 Apr 2010 22:29:26 +0200 Subject: Introduce render_hkl for superfluous graphics --- src/render_hkl.c | 295 +++++++++++++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 295 insertions(+) create mode 100644 src/render_hkl.c (limited to 'src/render_hkl.c') diff --git a/src/render_hkl.c b/src/render_hkl.c new file mode 100644 index 00000000..78418cc0 --- /dev/null +++ b/src/render_hkl.c @@ -0,0 +1,295 @@ +/* + * render_hkl.c + * + * Draw pretty renderings of reflection lists + * + * (c) 2006-2010 Thomas White + * + * Part of CrystFEL - crystallography with a FEL + * + */ + + +#ifdef HAVE_CONFIG_H +#include +#endif + +#include +#include +#include +#include +#include +#include +#include +#include + +#include "utils.h" +#include "reflections.h" + + +static void show_help(const char *s) +{ + printf("Syntax: %s [options] \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 \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 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; +} -- cgit v1.2.3