Skip to content
GitLab
Explore
Sign in
Primary navigation
Search or go to…
Project
mantid
Manage
Activity
Members
Labels
Plan
Wiki
Code
Merge requests
Repository
Branches
Commits
Tags
Repository graph
Compare revisions
Locked files
Deploy
Releases
Model registry
Analyze
Value stream analytics
Contributor analytics
Repository analytics
Code review analytics
Model experiments
Help
Help
Support
GitLab documentation
Compare GitLab plans
Community forum
Contribute to GitLab
Provide feedback
Keyboard shortcuts
?
Snippets
Groups
Projects
Show more breadcrumbs
mantidproject
mantid
Commits
33b12a0f
Commit
33b12a0f
authored
9 years ago
by
Michael Wedel
Browse files
Options
Downloads
Patches
Plain Diff
Refs #14121. Adding some more documentation
parent
8d53b65f
No related branches found
No related tags found
No related merge requests found
Changes
1
Hide whitespace changes
Inline
Side-by-side
Showing
1 changed file
Framework/Geometry/src/Crystal/PointGroup.cpp
+28
-0
28 additions, 0 deletions
Framework/Geometry/src/Crystal/PointGroup.cpp
with
28 additions
and
0 deletions
Framework/Geometry/src/Crystal/PointGroup.cpp
+
28
−
0
View file @
33b12a0f
...
...
@@ -117,6 +117,17 @@ std::vector<V3D> PointGroup::getEquivalentSet(const Kernel::V3D &hkl) const {
return
equivalents
;
}
/**
* Returns the CrystalSystem determined from symmetry elements
*
* This method determines the crystal system of the point group. It makes
* use of the fact that each crystal system has a characteristic set of
* symmetry elements. The requirement for the cubic system is for example
* that four 3-fold axes are present, whereas one 3-fold axis indicates
* that the group belongs to the trigonal system.
*
* @return Crystal system that the point group belongs to.
*/
PointGroup
::
CrystalSystem
PointGroup
::
getCrystalSystemFromGroup
()
const
{
std
::
map
<
std
::
string
,
std
::
set
<
V3D
>>
symbolMap
;
...
...
@@ -161,6 +172,17 @@ PointGroup::CrystalSystem PointGroup::getCrystalSystemFromGroup() const {
return
CrystalSystem
::
Triclinic
;
}
/**
* Returns the LatticeSystem of the point group, using the crystal system
*
* This function uses the crystal system argument and the coordinate system
* stored in Group to determine the lattice system. For all crystal systems
* except trigonal there is a 1:1 correspondence, but for trigonal groups
* the lattice system can be either rhombohedral or hexagonal.
*
* @param crystalSystem :: CrystalSystem of the point group.
* @return LatticeSystem the point group belongs to.
*/
PointGroup
::
LatticeSystem
PointGroup
::
getLatticeSystemFromCrystalSystemAndGroup
(
const
CrystalSystem
&
crystalSystem
)
const
{
switch
(
crystalSystem
)
{
...
...
@@ -199,6 +221,7 @@ std::vector<PointGroup_sptr> getAllPointGroups() {
return
out
;
}
/// Returns a multimap with crystal system as key and point groups as values.
PointGroupCrystalSystemMap
getPointGroupsByCrystalSystem
()
{
PointGroupCrystalSystemMap
map
;
...
...
@@ -231,6 +254,8 @@ getCrystalSystemAsString(const PointGroup::CrystalSystem &crystalSystem) {
}
}
/// Returns the crystal system enum that corresponds to the supplied string or
/// throws an invalid_argument exception.
PointGroup
::
CrystalSystem
getCrystalSystemFromString
(
const
std
::
string
&
crystalSystem
)
{
std
::
string
crystalSystemLC
=
boost
::
algorithm
::
to_lower_copy
(
crystalSystem
);
...
...
@@ -255,6 +280,7 @@ getCrystalSystemFromString(const std::string &crystalSystem) {
}
}
/// Returns the supplied LatticeSystem as a string.
std
::
string
getLatticeSystemAsString
(
const
PointGroup
::
LatticeSystem
&
latticeSystem
)
{
switch
(
latticeSystem
)
{
...
...
@@ -275,6 +301,8 @@ getLatticeSystemAsString(const PointGroup::LatticeSystem &latticeSystem) {
}
}
/// Returns the lattice system enum that corresponds to the supplied string or
/// throws an invalid_argument exception.PointGroup::LatticeSystem
PointGroup
::
LatticeSystem
getLatticeSystemFromString
(
const
std
::
string
&
latticeSystem
)
{
std
::
string
latticeSystemLC
=
boost
::
algorithm
::
to_lower_copy
(
latticeSystem
);
...
...
This diff is collapsed.
Click to expand it.
Preview
0%
Loading
Try again
or
attach a new file
.
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Save comment
Cancel
Please
register
or
sign in
to comment