Coverage for /Users/Newville/Codes/xraylarch/larch/xrd/__init__.py: 100%
13 statements
« prev ^ index » next coverage.py v7.3.2, created at 2023-11-09 10:08 -0600
« prev ^ index » next coverage.py v7.3.2, created at 2023-11-09 10:08 -0600
1import logging
2logging.getLogger('pyFAI').setLevel(logging.CRITICAL)
4from .xrd import XRD, xrd1d, read_xrd_data, create_xrd, create_xrd1d, calculate_xvalues
5from .xrd_bgr import xrd_background
7from .xrd_fitting import (peakfinder, peaklocater, peakfitter, peakfilter,
8 peakfinder_methods, data_gaussian_fit,
9 instrumental_fit_uvw, calc_broadening)
11from .xrd_pyFAI import (integrate_xrd, integrate_xrd_row, read_lambda,
12 calc_cake, save1D, return_ai, twth_from_xy,
13 q_from_xy, eta_from_xy,
14 read_poni, write_poni)
16from .xrd_tools import (d_from_q, d_from_twth, twth_from_d, twth_from_q,
17 E_from_lambda, lambda_from_E, q_from_d,
18 q_from_twth, qv_from_hkl, d_from_hkl,
19 unit_cell_volume, generate_hkl)
22from .amcsd import CifStructure, get_amcsd, get_cif, find_cifs, parse_cif_file
24from .xrd_files import xy_file_reader
26__DOC_ = '''
28Functions for manipulating and analyzing x-ray diffraction
29data.
31The data and functions here include (but are not limited to):
33member name description
34------------ ------------------------------
35peakfinder identifies peaks in x,y data
36peakfilter filters a set of data below a certain threshold
37peaklocater cross-references data for a give coordinates
39'''
41_larch_name = '_xrd'
42_larch_group = (XRD, xrd1d)
44_larch_builtins = {'_xrd': {'d_from_q': d_from_q,
45 'd_from_twth': d_from_twth,
46 'twth_from_d': twth_from_d,
47 'twth_from_q': twth_from_q,
48 'q_from_d': q_from_d,
49 'q_from_twth': q_from_twth,
50 'E_from_lambda': E_from_lambda,
51 'lambda_from_E': lambda_from_E,
52 'generate_hkl': generate_hkl,
53 'xrd_background': xrd_background,
54 'integrate_xrd': integrate_xrd,
56 'create_xrd': create_xrd,
57 'create_xrd1d': create_xrd1d,
58 'peakfinder': peakfinder,
59 'peakfitter': peakfitter,
60 'peakfilter': peakfilter,
61 'peaklocater': peaklocater,
62 'instrumental_fit_uvw': instrumental_fit_uvw,
63 'xy_file_reader': xy_file_reader,
64 'get_amscifdb': get_amcsd,
65 'get_amcsd': get_amcsd,
66 'get_cif': get_cif,
67 'find_cifs': find_cifs,
68 }}
71### from .xrd_cif import (SPACEGROUPS, create_xrdcif, check_elemsym, SPGRP_SYMM)
72# from .cifdb import (get_cifdb, cifDB, cif_match, read_cif, SearchCIFdb,
73# match_database, CATEGORIES, QSTEP, QMIN, QMAX, QAXIS)
74 # 'cif_match': cif_match,
75 # 'get_cifdb': get_cifdb,
76 # 'read_cif': read_cif,
77# 'data_gaussian_fit': data_gaussian_fit,
78# 'gaussian': gaussian,
79# 'doublegaussian': doublegaussian,
80# 'poly_func': poly_func,
81# 'data_poly_fit': data_poly_fit