Coverage for larch/xrd/__init__.py: 100%

13 statements  

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1import logging 

2logging.getLogger('pyFAI').setLevel(logging.CRITICAL) 

3 

4from .xrd import XRD, xrd1d, read_xrd_data, create_xrd, create_xrd1d, calculate_xvalues 

5from .xrd_bgr import xrd_background 

6 

7from .xrd_fitting import (peakfinder, peaklocater, peakfitter, peakfilter, 

8 data_gaussian_fit, instrumental_fit_uvw, 

9 calc_broadening) 

10 

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) 

15 

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) 

20 

21 

22from .amcsd import CifStructure, get_amcsd, get_cif, find_cifs, parse_cif_file 

23 

24from .xrd_files import xy_file_reader 

25 

26__DOC_ = ''' 

27 

28Functions for manipulating and analyzing x-ray diffraction 

29data. 

30 

31The data and functions here include (but are not limited to): 

32 

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 

38 

39''' 

40 

41_larch_name = '_xrd' 

42_larch_group = (XRD, xrd1d) 

43 

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, 

55 

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 }} 

69 

70 

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