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/*
* crystfel-mille.c
*
* Interface to Millepede geometry refinement
*
* Copyright © 2023 Deutsches Elektronen-Synchrotron DESY,
* a research centre of the Helmholtz Association.
*
* Authors:
* 2023 Thomas White <taw@physics.org>
*
* This file is part of CrystFEL.
*
* CrystFEL is free software: you can redistribute it and/or modify
* it under the terms of the GNU General Public License as published by
* the Free Software Foundation, either version 3 of the License, or
* (at your option) any later version.
*
* CrystFEL is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
* GNU General Public License for more details.
*
* You should have received a copy of the GNU General Public License
* along with CrystFEL. If not, see <http://www.gnu.org/licenses/>.
*
*/
#include <libcrystfel-config.h>
#include <stdlib.h>
#include <assert.h>
#include "image.h"
#include "geometry.h"
#include "cell-utils.h"
#include "predict-refine.h"
#include "profile.h"
#include <mille_c_wrap.h>
static const enum gparam rv[] =
{
GPARAM_ASX,
GPARAM_ASY,
GPARAM_ASZ,
GPARAM_BSX,
GPARAM_BSY,
GPARAM_BSZ,
GPARAM_CSX,
GPARAM_CSY,
GPARAM_CSZ,
};
int mille_label(int group_serial, enum gparam param)
{
switch ( param ) {
case GPARAM_DET_TX : return group_serial+1; /* x-shift */
case GPARAM_DET_TY : return group_serial+2; /* y-shift */
case GPARAM_DET_TZ : return group_serial+3; /* z-shift */
case GPARAM_DET_RX : return group_serial+4; /* Rotation around x */
case GPARAM_DET_RY : return group_serial+5; /* Rotation around y */
case GPARAM_DET_RZ : return group_serial+6; /* Rotation around z */
default : abort();
}
}
void write_mille(Mille *mille, int n, UnitCell *cell,
struct reflpeak *rps, struct image *image,
gsl_matrix **Minvs)
{
int i;
for ( i=0; i<n; i++ ) {
float local_gradients_fs[9];
float local_gradients_ss[9];
float global_gradients_fs[64];
float global_gradients_ss[64];
int labels[6];
int j;
const struct detgeom_panel_group *group;
/* Local gradients */
for ( j=0; j<9; j++ ) {
fs_ss_gradient(rv[j], rps[i].refl, cell,
&image->detgeom->panels[rps[i].peak->pn],
Minvs[rps[i].peak->pn], 0, 0, 0,
&local_gradients_fs[j],
&local_gradients_ss[j]);
}
/* Global gradients (for each group, at least level of hierarchy) */
j = 0;
group = image->detgeom->panels[rps[i].peak->pn].group;
while ( group != NULL ) {
double cx, cy, cz;
detgeom_group_center(group, &cx, &cy, &cz);
fs_ss_gradient(GPARAM_DET_TX, rps[i].refl, cell,
&image->detgeom->panels[rps[i].peak->pn],
Minvs[rps[i].peak->pn], 0, 0, 0,
&global_gradients_fs[j],
&global_gradients_ss[j]);
labels[j] = mille_label(group->serial, GPARAM_DET_TX);
j++;
fs_ss_gradient(GPARAM_DET_TY, rps[i].refl, cell,
&image->detgeom->panels[rps[i].peak->pn],
Minvs[rps[i].peak->pn], 0, 0, 0,
&global_gradients_fs[j],
&global_gradients_ss[j]);
labels[j] = mille_label(group->serial, GPARAM_DET_TY);
j++;
fs_ss_gradient(GPARAM_DET_TZ, rps[i].refl, cell,
&image->detgeom->panels[rps[i].peak->pn],
Minvs[rps[i].peak->pn], 0, 0, 0,
&global_gradients_fs[j],
&global_gradients_ss[j]);
labels[j] = mille_label(group->serial, GPARAM_DET_TZ);
j++;
fs_ss_gradient(GPARAM_DET_RX, rps[i].refl, cell,
&image->detgeom->panels[rps[i].peak->pn],
Minvs[rps[i].peak->pn], cx, cy, cz,
&global_gradients_fs[j],
&global_gradients_ss[j]);
labels[j] = mille_label(group->serial, GPARAM_DET_RX);
j++;
fs_ss_gradient(GPARAM_DET_RY, rps[i].refl, cell,
&image->detgeom->panels[rps[i].peak->pn],
Minvs[rps[i].peak->pn], cx, cy, cz,
&global_gradients_fs[j],
&global_gradients_ss[j]);
labels[j] = mille_label(group->serial, GPARAM_DET_RY);
j++;
fs_ss_gradient(GPARAM_DET_RZ, rps[i].refl, cell,
&image->detgeom->panels[rps[i].peak->pn],
Minvs[rps[i].peak->pn], cx, cy, cz,
&global_gradients_fs[j],
&global_gradients_ss[j]);
labels[j] = mille_label(group->serial, GPARAM_DET_RZ);
j++;
group = group->parent;
}
/* Add fs measurement */
mille_add_measurement(mille,
9, local_gradients_fs,
j, global_gradients_fs, labels,
fs_dev(&rps[i], image->detgeom),
0.65*image->detgeom->panels[rps[i].peak->pn].pixel_pitch);
/* Add ss measurement */
mille_add_measurement(mille,
9, local_gradients_ss,
j, global_gradients_ss, labels,
ss_dev(&rps[i], image->detgeom),
0.65*image->detgeom->panels[rps[i].peak->pn].pixel_pitch);
}
}
Mille *crystfel_mille_new(const char *outFileName,
int asBinary,
int writeZero)
{
return mille_new(outFileName, asBinary, writeZero);
}
void crystfel_mille_free(Mille *m)
{
mille_free(m);
}
void crystfel_mille_delete_last_record(Mille *m)
{
mille_delete_last_record(m);
}
void crystfel_mille_write_record(Mille *m)
{
mille_write_record(m);
}
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