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-rw-r--r--src/control.c4
-rw-r--r--src/displaywindow.c17
-rw-r--r--src/ipr.c38
-rw-r--r--src/reflections.c21
-rw-r--r--src/reflections.h6
-rw-r--r--src/reproject.c19
-rw-r--r--src/reproject.h2
7 files changed, 52 insertions, 55 deletions
diff --git a/src/control.c b/src/control.c
index e0318c0..1b4e826 100644
--- a/src/control.c
+++ b/src/control.c
@@ -26,11 +26,11 @@ int control_add_image(ControlContext *ctx, int16_t *image, int width, int height
if ( ctx->fmode == FORMULATION_PIXELSIZE ) {
ctx->images[ctx->n_images].pixel_size = ctx->pixel_size;
ctx->images[ctx->n_images].camera_len = 0;
- ctx->images[ctx->n_images].resolution = ctx->resolution;
+ ctx->images[ctx->n_images].resolution = 0;
} else if ( ctx->fmode == FORMULATION_CLEN ) {
ctx->images[ctx->n_images].pixel_size = 0;
ctx->images[ctx->n_images].camera_len = ctx->camera_length;
- ctx->images[ctx->n_images].resolution = 0;
+ ctx->images[ctx->n_images].resolution = ctx->resolution;
}
ctx->n_images++;
diff --git a/src/displaywindow.c b/src/displaywindow.c
index cc8fa0e..e73cbc5 100644
--- a/src/displaywindow.c
+++ b/src/displaywindow.c
@@ -349,17 +349,15 @@ static gint displaywindow_gl_expose(GtkWidget *widget, GdkEventExpose *event, Co
do {
if ( reflection->type == REFLECTION_CENTRAL ) {
+
glMaterialfv(GL_FRONT_AND_BACK, GL_AMBIENT_AND_DIFFUSE, blue);
glPushMatrix();
glTranslatef(reflection->x/1e9, reflection->y/1e9, reflection->z/1e9);
gluSphere(quadric, 0.2, 32, 32);
glPopMatrix();
- }
- if ( reflection->type == REFLECTION_GENERATED ) {
- #if 0
- /* Generated reflections are displayed by index, not coordinates.
- xyz field in Reflection will be used later for "measured" location. */
+ } else if ( reflection->type == REFLECTION_GENERATED ) {
+
double x, y, z;
signed int h, k, l;
@@ -375,7 +373,14 @@ static gint displaywindow_gl_expose(GtkWidget *widget, GdkEventExpose *event, Co
gluSphere(quadric, 0.2, 8, 8);
glPopMatrix();
- #endif
+
+ } else if ( reflection->type == REFLECTION_MARKER ) {
+
+ glMaterialfv(GL_FRONT_AND_BACK, GL_AMBIENT_AND_DIFFUSE, gold);
+ glPushMatrix();
+ glTranslatef(reflection->x/1e9, reflection->y/1e9, reflection->z/1e9);
+ gluSphere(quadric, 0.2, 8, 8);
+ glPopMatrix();
}
reflection = reflection->next;
diff --git a/src/ipr.c b/src/ipr.c
index 0d0ce3b..586a468 100644
--- a/src/ipr.c
+++ b/src/ipr.c
@@ -187,7 +187,6 @@ static ReflectionContext *ipr_generate(ControlContext *ctx, Basis *basis) {
ReflectionContext *ordered;
double max_res;
- int max_order_a, max_order_b, max_order_c;
signed int h, k, l;
/* NB This assumes the diffraction pattern is "vaguely" centered... */
@@ -197,25 +196,31 @@ static ReflectionContext *ipr_generate(ControlContext *ctx, Basis *basis) {
} else {
max_res = sqrt(ctx->width*ctx->width + ctx->height*ctx->height) / (ctx->lambda * ctx->camera_length);
}
- max_res = max_res / 4;
+ max_res = max_res / 2;
} else {
max_res = 2e10; //works until I put some more in the reflect.cache header
}
- max_order_a = max_res/basis->a.modulus;
- max_order_b = max_res/basis->b.modulus;
- max_order_c = max_res/basis->c.modulus;
-
ordered = reflection_init();
-
- for ( h=-max_order_a; h<=max_order_a; h++ ) {
- for ( k=-max_order_b; k<=max_order_b; k++ ) {
- for ( l=-max_order_c; l<=max_order_c; l++ ) {
- Reflection *ref;
- ref = reflection_add_index(ordered, h, k, l, 1, REFLECTION_GENERATED);
- ref->x = h*basis->a.x + k*basis->b.x + l*basis->c.x;
- ref->y = h*basis->a.y + k*basis->b.y + l*basis->c.y;
- ref->z = h*basis->a.z + k*basis->b.z + l*basis->c.z;
+ basis->a.x = 5e9; basis->a.y = 0.0; basis->a.z = 0.0;
+ basis->b.x = 0.0; basis->b.y = 5e9; basis->b.z = 0.0;
+ basis->c.x = 0.0; basis->c.y = 0.0; basis->c.z = 3e9;
+ for ( h=-30; h<=30; h++ ) {
+ for ( k=-30; k<=30; k++ ) {
+ for ( l=-30; l<=30; l++ ) {
+
+ double x, y, z;
+
+ x = h*basis->a.x + k*basis->b.x + l*basis->c.x;
+ y = h*basis->a.y + k*basis->b.y + l*basis->c.y;
+ z = h*basis->a.z + k*basis->b.z + l*basis->c.z;
+
+ if ( ( x*x + y*y + z*z ) <= max_res*max_res ) {
+ Reflection *ref;
+ ref = reflection_add(ordered, x, y, z, 1, REFLECTION_GENERATED);
+ ref->h = h; ref->k = k; ref->l = l;
+ }
+
}
}
}
@@ -253,9 +258,10 @@ int ipr_refine(ControlContext *ctx) {
/* Select an image */
i = ipr_random_image(ctx);
+ i = 1;
cur = imagedisplay_open(ctx->images[i].image, ctx->images[i].width, ctx->images[i].height, "Current Image");
- refl = reproject_get_reflections(ctx->images[i], &n, lat);
+ refl = reproject_get_reflections(ctx->images[i], &n, lat, ctx);
for ( j=0; j<n; j++ ) {
imagedisplay_mark_circle(cur, refl[j].x, refl[j].y);
}
diff --git a/src/reflections.c b/src/reflections.c
index 955eb82..4d9f448 100644
--- a/src/reflections.c
+++ b/src/reflections.c
@@ -59,10 +59,10 @@ void reflection_free(ReflectionContext *reflectionctx) {
free(reflectionctx);
}
-void reflection_add(ReflectionContext *reflectionctx, double x, double y, double z, double intensity, ReflectionType type) {
+Reflection *reflection_add(ReflectionContext *reflectionctx, double x, double y, double z, double intensity, ReflectionType type) {
Reflection *new_reflection;
- //printf("Added reflection (%f,%f,%f)\n",x,y,z);
+
new_reflection = malloc(sizeof(Reflection));
new_reflection->next = NULL;
new_reflection->x = x;
@@ -74,23 +74,6 @@ void reflection_add(ReflectionContext *reflectionctx, double x, double y, double
reflectionctx->last_reflection->next = new_reflection;
reflectionctx->last_reflection = new_reflection;
-}
-
-Reflection *reflection_add_index(ReflectionContext *reflectionctx, signed int h, signed int k, signed int l, double intensity, ReflectionType type) {
-
- Reflection *new_reflection;
-
- new_reflection = malloc(sizeof(Reflection));
- new_reflection->next = NULL;
- new_reflection->h = h;
- new_reflection->k = k;
- new_reflection->l = l;
- new_reflection->intensity = intensity;
- new_reflection->type = type;
-
- reflectionctx->last_reflection->next = new_reflection;
- reflectionctx->last_reflection = new_reflection;
-
return new_reflection;
}
diff --git a/src/reflections.h b/src/reflections.h
index 55c294c..dc15d88 100644
--- a/src/reflections.h
+++ b/src/reflections.h
@@ -19,7 +19,8 @@
typedef enum {
REFLECTION_NORMAL, /* Measured - expressed as x, y, z position */
REFLECTION_CENTRAL, /* The central beam */
- REFLECTION_GENERATED /* Generated and intensity-measured - expressed as h, k, l index */
+ REFLECTION_GENERATED, /* Generated and intensity-measured - expressed as h, k, l index */
+ REFLECTION_MARKER
} ReflectionType;
typedef struct reflection_struct {
@@ -68,8 +69,7 @@ extern ReflectionContext *reflection_init(void);
extern void reflection_clear(ReflectionContext *reflectionctx);
extern void reflection_free(ReflectionContext *reflectionctx);
-extern void reflection_add(ReflectionContext *reflectionctx, double x, double y, double z, double intensity, ReflectionType type);
-extern Reflection *reflection_add_index(ReflectionContext *reflectionctx, signed int h, signed int k, signed int l, double intensity, ReflectionType type);
+extern Reflection *reflection_add(ReflectionContext *reflectionctx, double x, double y, double z, double intensity, ReflectionType type);
#include "control.h"
diff --git a/src/reproject.c b/src/reproject.c
index c6cf2ce..f3c3480 100644
--- a/src/reproject.c
+++ b/src/reproject.c
@@ -15,14 +15,14 @@
#include "control.h"
#include "reflections.h"
-#define MAX_IMAGE_REFLECTIONS 1024
+#define MAX_IMAGE_REFLECTIONS 8*1024
-ImageReflection *reproject_get_reflections(ImageRecord image, size_t *n, ReflectionContext *rctx) {
+ImageReflection *reproject_get_reflections(ImageRecord image, size_t *n, ReflectionContext *rctx, ControlContext *ctx) {
ImageReflection *refl;
Reflection *reflection;
int i;
- double smax = 1e9;
+ double smax = 0.5e9;
double tilt, omega;
tilt = 2*M_PI*(image.tilt/360);
@@ -60,10 +60,10 @@ ImageReflection *reproject_get_reflections(ImageRecord image, size_t *n, Reflect
c = xl*xl + yl*yl + zl*zl - 2.0*zl/image.lambda;
s1 = (-b + sqrt(b*b-4.0*a*c))/(2.0*a);
s2 = (-b - sqrt(b*b-4.0*a*c))/(2.0*a);
- if ( s1 < s2 ) s = s1; else s = s2;
+ if ( fabs(s1) < fabs(s2) ) s = s1; else s = s2;
/* Skip this reflection if s is large */
- if ( s <= smax ) {
+ if ( fabs(s) <= smax ) {
double xddd, yddd, zddd;
double xdd, ydd, zdd;
@@ -73,7 +73,9 @@ ImageReflection *reproject_get_reflections(ImageRecord image, size_t *n, Reflect
/* Determine the intersection point */
xddd = xl + s*nx; yddd = yl + s*ny; zddd = zl + s*nz;
- printf("intersection at %f,%f,%f\n", xddd, yddd,zddd);
+ reflection_add(ctx->reflectionctx, xl, yl, zl, 1, REFLECTION_CENTRAL);
+ reflection_add(ctx->reflectionctx, xddd, yddd, zddd, 1, REFLECTION_MARKER);
+
/* Invert the image->3D mapping to get the image coordinates */
xdd = xddd;
ydd = (yddd/cos(tilt) - zddd*tan(tilt)/cos(tilt))/(1+tan(tilt)*tan(tilt));
@@ -85,10 +87,11 @@ ImageReflection *reproject_get_reflections(ImageRecord image, size_t *n, Reflect
if ( image.fmode == FORMULATION_CLEN ) {
psi = atan2(-yd, xd);
- theta = acos(1-zd*image.lambda);
+ theta = acos(1+zd*image.lambda);
x = image.camera_len*sin(theta)*cos(psi);
y = image.camera_len*sin(theta)*sin(psi);
x *= image.resolution;
+ y *= image.resolution;
} else if ( image.fmode == FORMULATION_PIXELSIZE ) {
x = xd / image.pixel_size;
y = yd / image.pixel_size;
@@ -117,7 +120,7 @@ ImageReflection *reproject_get_reflections(ImageRecord image, size_t *n, Reflect
printf("Reflection %i at %i,%i\n", i, refl[i-1].x, refl[i-1].y);
} else {
- fprintf(stderr, "Reflection failed sanity test (x=%f, y=%f)\n", x, y);
+ //fprintf(stderr, "Reflection failed sanity test (x=%f, y=%f)\n", x, y);
}
}
diff --git a/src/reproject.h b/src/reproject.h
index ac7b240..790f43d 100644
--- a/src/reproject.h
+++ b/src/reproject.h
@@ -19,7 +19,7 @@
#include "control.h"
#include "reflections.h"
-extern ImageReflection *reproject_get_reflections(ImageRecord image, size_t *n, ReflectionContext *rctx);
+extern ImageReflection *reproject_get_reflections(ImageRecord image, size_t *n, ReflectionContext *rctx, ControlContext *ctx);
#endif /* REPROJECT_H */
generated by cgit v1.2.3 (git 2.25.1) at 2024-09-28 23:52:56 +0000