Changeset 2994 for branch

Timestamp:

Aug 10, 2017 4:04:56 PM (6 years ago)

Author:

odonnell

Message:

revised HAP parameter docs

File:

• branch/2frame/GSASIIobj.py (modified) (3 diffs)

branch/2frame/GSASIIobj.py

@@ -258 +258 @@
                              size and strain parameters. The following are the
                              keys to the inner dict. (dict)
-\           Babinet          Dictionary with two entries, 'BabA', 'BabU'
+\           Babinet          For protein crystallography. Dictionary with two
+                             entries, 'BabA', 'BabU'
 \           Extinction       Extinction parameter (list of float, bool)
 \           HStrain          Hydrostatic strain. List of two lists. The first is
-                             a list of the HStrain parameters (1-3 depending on
-                             unit cell), the second is a list of boolean
+                             a list of the HStrain parameters (1, 2, 3, 4, or 6
+                             depending on unit cell), the second is a list of boolean
                              refinement parameters (same length)
 \           Histogram        The name of the associated histogram (str)
@@ -277 +278 @@
                                5. Generalized refinement flags - list of bools,
                                   corresponding to the parameters of (4)
-\           Pref.Ori.        Preferred Orientation. List of eight parameters, in order:
+\           Pref.Ori.        Preferred Orientation. List of eight parameters.
+                             Items marked SH are only used for Spherical Harmonics.
 
                                0. Type, 'MD' for March-Dollase or 'SH' for
@@ -284 +286 @@
                                2. Refinement flag, bool
                                3. Preferred direction, list of ints, [h, k, l]
-                               4. int
-                               5. dict
-                               6. list
-                               7. float
-\           Scale            Phase fraction, list of [float, bool]
-\           Show
+                               4. SH - number of terms, int
+                               5. SH - dict
+                               6. SH - list
+                               7. SH - float
+\           Scale            Phase fraction, list of [float, bool].
+\           Show             bool
 \           Use              bool
 \           newLeBail        Whether to perform a new LeBail extraction