|
1 | | -diffpy.structure package |
2 | | -======================== |
| 1 | +:tocdepth: 2 |
| 2 | + |
| 3 | +diffpy.structure API |
| 4 | +#################### |
| 5 | + |
3 | 6 |
|
4 | 7 | Subpackages |
5 | | ------------ |
| 8 | +=========== |
6 | 9 |
|
7 | 10 | .. toctree:: |
| 11 | + :titlesonly: |
8 | 12 |
|
9 | 13 | diffpy.structure.parsers |
10 | 14 | diffpy.structure.applications |
11 | 15 | diffpy.structure.expansion |
12 | 16 |
|
13 | | -Submodules |
| 17 | + |
| 18 | +diffpy.structure |
| 19 | +================ |
| 20 | + |
| 21 | +.. module:: diffpy.structure |
| 22 | + |
| 23 | +The top-level diffpy.structure module provides the following objects. |
| 24 | + |
| 25 | + |
| 26 | +Functions |
| 27 | +--------- |
| 28 | + |
| 29 | +.. autofunction:: loadStructure |
| 30 | + |
| 31 | + |
| 32 | +Classes |
| 33 | +------- |
| 34 | + |
| 35 | +:py:class:`~atom.Atom` |
| 36 | + describes one atom site in the structure - its type, position, |
| 37 | + displacement parameters and so forth. |
| 38 | + |
| 39 | +:py:class:`~lattice.Lattice` |
| 40 | + depicts general coordinate system and associated operations. |
| 41 | + |
| 42 | +:py:class:`~structure.Structure` |
| 43 | + collection of :class:`!Atom` objects that form the structure together |
| 44 | + with associated :py:class:`!Lattice`. |
| 45 | + |
| 46 | + |
| 47 | +Exceptions |
14 | 48 | ---------- |
15 | 49 |
|
16 | | -diffpy.structure.spacegroups module |
17 | | ------------------------------------ |
| 50 | +.. autoclass:: StructureFormatError |
| 51 | + |
| 52 | +.. autoclass:: LatticeError |
| 53 | + |
| 54 | +.. autoclass:: SymmetryError |
| 55 | + |
| 56 | + |
| 57 | +diffpy.structure.spacegroups |
| 58 | +============================ |
18 | 59 |
|
19 | 60 | .. automodule:: diffpy.structure.spacegroups |
20 | 61 | :members: |
21 | 62 | :undoc-members: |
22 | 63 | :show-inheritance: |
23 | 64 |
|
24 | | -diffpy.structure.structureerrors module |
25 | | ---------------------------------------- |
| 65 | +diffpy.structure.structureerrors |
| 66 | +================================ |
26 | 67 |
|
27 | 68 | .. automodule:: diffpy.structure.structureerrors |
28 | 69 | :members: |
29 | 70 | :undoc-members: |
30 | 71 | :show-inheritance: |
31 | 72 |
|
32 | | -diffpy.structure.symmetryutilities module |
33 | | ------------------------------------------ |
| 73 | +diffpy.structure.symmetryutilities |
| 74 | +================================== |
34 | 75 |
|
35 | 76 | .. automodule:: diffpy.structure.symmetryutilities |
36 | 77 | :members: |
37 | 78 | :undoc-members: |
38 | 79 | :show-inheritance: |
39 | 80 |
|
40 | | -diffpy.structure.atom module |
41 | | ----------------------------- |
| 81 | +diffpy.structure.atom |
| 82 | +===================== |
42 | 83 |
|
43 | 84 | .. automodule:: diffpy.structure.atom |
44 | 85 | :members: |
45 | 86 | :show-inheritance: |
46 | 87 |
|
47 | | -diffpy.structure.mmlibspacegroups module |
48 | | ----------------------------------------- |
| 88 | +diffpy.structure.mmlibspacegroups |
| 89 | +================================= |
49 | 90 |
|
50 | 91 | .. automodule:: diffpy.structure.mmlibspacegroups |
51 | 92 | :members: |
52 | 93 | :undoc-members: |
53 | 94 | :show-inheritance: |
54 | 95 |
|
55 | | -diffpy.structure.pdffitstructure module |
56 | | ---------------------------------------- |
| 96 | +diffpy.structure.pdffitstructure |
| 97 | +================================ |
57 | 98 |
|
58 | 99 | .. automodule:: diffpy.structure.pdffitstructure |
59 | 100 | :members: |
60 | 101 | :undoc-members: |
61 | 102 | :show-inheritance: |
62 | 103 |
|
63 | | -diffpy.structure.sgtbxspacegroups module |
64 | | ----------------------------------------- |
| 104 | +diffpy.structure.sgtbxspacegroups |
| 105 | +================================= |
65 | 106 |
|
66 | 107 | .. automodule:: diffpy.structure.sgtbxspacegroups |
67 | 108 | :members: |
68 | 109 | :undoc-members: |
69 | 110 | :show-inheritance: |
70 | 111 |
|
71 | | -diffpy.structure.spacegroupmod module |
72 | | -------------------------------------- |
| 112 | +diffpy.structure.spacegroupmod |
| 113 | +============================== |
73 | 114 |
|
74 | 115 | .. automodule:: diffpy.structure.spacegroupmod |
75 | 116 | :members: |
76 | 117 | :undoc-members: |
77 | 118 | :special-members: __call__, __eq__ |
78 | 119 |
|
79 | | -diffpy.structure.structure module |
80 | | ---------------------------------- |
| 120 | +diffpy.structure.structure |
| 121 | +========================== |
81 | 122 |
|
82 | 123 | .. automodule:: diffpy.structure.structure |
83 | 124 | :members: |
84 | 125 | :undoc-members: |
85 | 126 | :show-inheritance: |
86 | 127 |
|
87 | | -diffpy.structure.utils module |
88 | | ------------------------------ |
| 128 | +diffpy.structure.utils |
| 129 | +====================== |
89 | 130 |
|
90 | 131 | .. automodule:: diffpy.structure.utils |
91 | 132 | :members: |
92 | 133 | :undoc-members: |
93 | 134 | :show-inheritance: |
94 | 135 |
|
95 | | -diffpy.structure.version module |
96 | | -------------------------------- |
| 136 | +diffpy.structure.version |
| 137 | +======================== |
97 | 138 |
|
98 | 139 | .. automodule:: diffpy.structure.version |
99 | 140 | :members: |
|
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