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authorThomas White <taw@physics.org>2011-04-26 16:23:29 +0200
committerThomas White <taw@physics.org>2012-02-22 15:27:24 +0100
commitc3c5ba136d1a4de7ab053f38724ece8c415b110d (patch)
tree8b83aa7adf56b123620ec01e3fce884af9f1e6fa /src/partial_sim.c
parent6815bab588d3e995bd1319e23614372aa1a07f0c (diff)
Work in progress on post refinement
Diffstat (limited to 'src/partial_sim.c')
-rw-r--r--src/partial_sim.c6
1 files changed, 3 insertions, 3 deletions
diff --git a/src/partial_sim.c b/src/partial_sim.c
index a9abb55b..2c2493e9 100644
--- a/src/partial_sim.c
+++ b/src/partial_sim.c
@@ -39,7 +39,7 @@ static void mess_up_cell(UnitCell *cell)
double cx, cy, cz;
cell_get_cartesian(cell, &ax, &ay, &az, &bx, &by, &bz, &cx, &cy, &cz);
- ax += 0.005*ax;
+ ax += 0.008*ax;
cell_set_cartesian(cell, ax, ay, az, bx, by, bz, cx, cy, cz);
}
@@ -255,7 +255,7 @@ int main(int argc, char *argv[])
/* Alter the cell by a tiny amount */
image.filename = "(simulated 2)";
- new = rotate_cell(cell, deg2rad(0.001), deg2rad(0.0), 0.0);
+ new = rotate_cell(cell, deg2rad(1.0), deg2rad(0.0), 0.0);
cell_free(image.indexed_cell);
image.indexed_cell = new;
@@ -264,7 +264,7 @@ int main(int argc, char *argv[])
calculate_partials(image.reflections, 0.5, full, sym);
/* Give a slightly incorrect cell in the stream */
- //mess_up_cell(image.indexed_cell);
+ mess_up_cell(image.indexed_cell);
write_chunk(ofh, &image, STREAM_INTEGRATED);
reflist_free(image.reflections);