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authorThomas White <taw@physics.org>2012-10-20 05:58:30 -0700
committerThomas White <taw@bitwiz.org.uk>2012-10-20 06:38:29 -0700
commitb8b1b1ddb214823e3d9a0a30e3613399e52b87b0 (patch)
tree764b7afb33b0dfd4a796cca2b9f693d4bc9de846
parentd33230479371986bd58fc3ddc129ef91db4868d7 (diff)
Update documentation
-rw-r--r--doc/reference/CrystFEL-docs.sgml5
-rw-r--r--doc/reference/CrystFEL-sections.txt50
-rw-r--r--libcrystfel/src/cell-utils.c17
-rw-r--r--libcrystfel/src/integer_matrix.c2
4 files changed, 71 insertions, 3 deletions
diff --git a/doc/reference/CrystFEL-docs.sgml b/doc/reference/CrystFEL-docs.sgml
index 2f42f5e7..ffff9e9f 100644
--- a/doc/reference/CrystFEL-docs.sgml
+++ b/doc/reference/CrystFEL-docs.sgml
@@ -48,6 +48,11 @@
</chapter>
<chapter>
+ <title>Integer Matrices</title>
+ <xi:include href="xml/integer_matrix.xml"><xi:fallback /></xi:include>
+ </chapter>
+
+ <chapter>
<title>Simulation</title>
<xi:include href="xml/simulation.xml"><xi:fallback /></xi:include>
</chapter>
diff --git a/doc/reference/CrystFEL-sections.txt b/doc/reference/CrystFEL-sections.txt
index 3ccc1511..8da5798c 100644
--- a/doc/reference/CrystFEL-sections.txt
+++ b/doc/reference/CrystFEL-sections.txt
@@ -60,11 +60,16 @@ read_reflections
read_reflections_from_file
asymmetric_indices
res_cutoff
+check_list_symmetry
+copy_reflist
+find_equiv_in_list
</SECTION>
<SECTION>
<FILE>unitcell</FILE>
UnitCell
+LatticeType
+UnitCellTransformation
<SUBSECTION>
cell_new
cell_new_from_cell
@@ -77,7 +82,9 @@ cell_get_cartesian
cell_get_parameters
cell_get_pointgroup
cell_get_reciprocal
-cell_get_spacegroup
+cell_get_centering
+cell_get_lattice_type
+cell_get_unique_axis
<SUBSECTION>
cell_set_cartesian
cell_set_cartesian_a
@@ -86,14 +93,22 @@ cell_set_cartesian_c
cell_set_parameters
cell_set_pointgroup
cell_set_reciprocal
-cell_set_spacegroup
+cell_set_centering
+cell_set_lattice_type
+cell_set_unique_axis
<SUBSECTION>
+cell_transform
+cell_transform_inverse
tfn_combine
tfn_identity
+tfn_from_intmat
tfn_inverse
tfn_print
tfn_vector
tfn_free
+<SUBSECTION>
+
+cell_rep
</SECTION>
<SECTION>
@@ -110,6 +125,9 @@ uncenter_cell
bravais_lattice
right_handed
str_lattice
+uncenter_cell
+forbidden_reflection
+load_cell_from_pdb
</SECTION>
<SECTION>
@@ -213,6 +231,7 @@ index_pattern
run_dirax
run_mosflm
indexingprivate
+map_all_peaks
</SECTION>
<SECTION>
@@ -238,11 +257,35 @@ is_centrosymmetric
</SECTION>
<SECTION>
+<FILE>integer_matrix</FILE>
+IntegerMatrix
+<SUBSECTION>
+intmat_new
+intmat_copy
+intmat_free
+<SUBSECTION>
+intmat_get
+intmat_set
+<SUBSECTION>
+intmat_intmat_mult
+intmat_intvec_mult
+intmat_det
+intmat_inverse
+<SUBSECTION>
+intmat_equals
+intmat_is_identity
+intmat_is_inversion
+<SUBSECTION>
+intmat_print
+</SECTION>
+
+<SECTION>
<FILE>detector</FILE>
copy_geom
fill_in_values
free_detector_geometry
get_detector_geometry
+write_detector_geometry
find_panel
find_panel_by_name
find_panel_number
@@ -252,6 +295,9 @@ get_pixel_extents
get_q
get_q_for_panel
get_tt
+smallest_q
+reverse_2d_mapping
+largest_q
</SECTION>
<SECTION>
diff --git a/libcrystfel/src/cell-utils.c b/libcrystfel/src/cell-utils.c
index 74f33bb2..174240b6 100644
--- a/libcrystfel/src/cell-utils.c
+++ b/libcrystfel/src/cell-utils.c
@@ -71,6 +71,8 @@
*
* Rotate a %UnitCell using a %quaternion.
*
+ * Deprecated: 0.4.3. Use tfn_random_rotation() and cell_transform() instead.
+ *
* Returns: a newly allocated rotated copy of @in.
*
*/
@@ -1045,6 +1047,21 @@ void cell_fudge_gslcblas()
}
+/**
+ * rotate_cell:
+ * @in: A %UnitCell to rotate
+ * @omega: Euler angle about +z
+ * @phi: Euler angle about +x
+ * @rot: Euler angle about new +z
+ *
+ * Rotate a %UnitCell using Euler angles
+ *
+ * Deprecated: Deprecated since 0.4.3. Use tfn_random_rotation() and
+ * cell_transform() instead.
+ *
+ * Returns: a newly allocated rotated copy of @in.
+ *
+ */
UnitCell *rotate_cell(UnitCell *in, double omega, double phi, double rot)
{
UnitCell *out;
diff --git a/libcrystfel/src/integer_matrix.c b/libcrystfel/src/integer_matrix.c
index ad38a9fe..32784f20 100644
--- a/libcrystfel/src/integer_matrix.c
+++ b/libcrystfel/src/integer_matrix.c
@@ -47,7 +47,7 @@
* @include: "integer_matrix.h"
* @Image:
*
- * Routines to handle integer matrix
+ * An integer matrix library
*/