Changeset 5d1e040 in sasview
- Timestamp:
- Apr 9, 2017 5:47:08 AM (8 years ago)
- Branches:
- master, ESS_GUI, ESS_GUI_Docs, ESS_GUI_batch_fitting, ESS_GUI_bumps_abstraction, ESS_GUI_iss1116, ESS_GUI_iss879, ESS_GUI_iss959, ESS_GUI_opencl, ESS_GUI_ordering, ESS_GUI_sync_sascalc, costrafo411, magnetic_scatt, release-4.2.2, ticket-1009, ticket-1094-headless, ticket-1242-2d-resolution, ticket-1243, ticket-1249, ticket885, unittest-saveload
- Children:
- 8938502
- Parents:
- e962d85 (diff), 5b2b04d (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent. - Files:
-
- 9 added
- 4 edited
Legend:
- Unmodified
- Added
- Removed
-
src/sas/sasgui/guiframe/data_processor.py
r9a5097c re645bbb 18 18 19 19 """ 20 import wx21 import numpy22 import math23 import re24 20 import os 25 21 import sys 26 22 import copy 27 from wx.lib.scrolledpanel import ScrolledPanel 23 import math 24 import re 25 import wx 26 import numpy as np 27 28 28 import wx.aui 29 29 from wx.aui import AuiNotebook as nb 30 30 import wx.lib.sheet as sheet 31 from wx.lib.scrolledpanel import ScrolledPanel 32 31 33 from sas.sasgui.guiframe.panel_base import PanelBase 32 34 from sas.sasgui.guiframe.events import NewPlotEvent -
sasview/test/sesans_data/sphere2micron.ses
r2a2b43a rd3bce8c 1 DataFileTitle "Polystyrene of Markus Strobl, Full Sine, ++ only " 2 Sample "Polystyrene 2 um in 53% H2O, 47% D2O " 3 Settings "D1=D2=20x8 mm,Ds = 16x10 mm (WxH), GF1 =scanning, GF2 = 2.5 A. 2 um polystyrene in 53% H2O, 47% D2O; 8.55% contrast " 4 Operator CPD 5 Date do 10 jul 2014 16:37:30 6 ScanType sine one element scan 7 Thickness [cm] 2.00E-01 8 Q_zmax [\A^-1] 0.05 9 Q_ymax [\A^-1] 0.05 10 11 spin echo length [A] Depolarisation [A-2 cm-1] error depol [A-2 cm-1] error SEL [A] wavelength [A] error wavelength [A] polarisation error pol 12 391.56 0.0041929 0.0036894 19.578 2.11 0.1055 1.0037 0.0032974 13 1564 -0.0046571 0.0038185 78.2 2.11 0.1055 0.99586 0.003386 14 2735.6 -0.017007 0.0038132 136.78 2.11 0.1055 0.98497 0.0033444 15 3907.9 -0.033462 0.0035068 195.39 2.11 0.1055 0.97064 0.0030309 16 5080.2 -0.047483 0.0038208 254.01 2.11 0.1055 0.9586 0.0032613 17 6251.8 -0.070375 0.00376 312.59 2.11 0.1055 0.93926 0.0031446 18 7423.2 -0.092217 0.0037927 371.16 2.11 0.1055 0.92117 0.0031108 19 8595.5 -0.10238 0.004006 429.77 2.11 0.1055 0.91287 0.0032562 20 9767.7 -0.12672 0.0038534 488.39 2.11 0.1055 0.8933 0.0030651 21 10940 -0.1374 0.004243 546.98 2.11 0.1055 0.88484 0.003343 22 12112 -0.16072 0.0045837 605.58 2.11 0.1055 0.86666 0.0035372 23 13284 -0.16623 0.0045613 664.2 2.11 0.1055 0.86242 0.0035027 24 14456 -0.18468 0.0044918 722.79 2.11 0.1055 0.84837 0.0033931 25 15628 -0.19143 0.0048967 781.38 2.11 0.1055 0.84328 0.0036768 26 16800 -0.20029 0.0045421 840.02 2.11 0.1055 0.83666 0.0033837 27 17971 -0.19798 0.0046642 898.56 2.11 0.1055 0.83838 0.0034819 28 19143 -0.21442 0.0047052 957.17 2.11 0.1055 0.82619 0.0034614 29 20316 -0.20885 0.0044931 1015.8 2.11 0.1055 0.8303 0.0033218 30 21488 -0.21393 0.0049186 1074.4 2.11 0.1055 0.82655 0.00362 31 22660 -0.20685 0.004423 1133 2.11 0.1055 0.83179 0.0032758 32 23832 -0.20802 0.0046979 1191.6 2.11 0.1055 0.83092 0.0034758 33 25003 -0.19848 0.0045953 1250.2 2.11 0.1055 0.838 0.0034289 34 26175 -0.21117 0.0044567 1308.8 2.11 0.1055 0.82859 0.0032881 35 27347 -0.21283 0.004137 1367.4 2.11 0.1055 0.82736 0.0030477 36 28520 -0.2042 0.0044587 1426 2.11 0.1055 0.83375 0.0033101 37 29692 -0.2112 0.0042852 1484.6 2.11 0.1055 0.82857 0.0031615 38 30864 -0.20319 0.0043483 1543.2 2.11 0.1055 0.8345 0.003231 39 32036 -0.20752 0.0044297 1601.8 2.11 0.1055 0.83129 0.0032788 40 33207 -0.20654 0.0043188 1660.4 2.11 0.1055 0.83201 0.0031995 41 34380 -0.20126 0.0046375 1719 2.11 0.1055 0.83593 0.0034518 42 35551 -0.20924 0.0042871 1777.6 2.11 0.1055 0.83001 0.0031684 43 36724 -0.21323 0.0045471 1836.2 2.11 0.1055 0.82707 0.0033487 44 37895 -0.21324 0.0045354 1894.7 2.11 0.1055 0.82706 0.00334 45 39067 -0.19905 0.0044141 1953.4 2.11 0.1055 0.83758 0.003292 46 40239 -0.1991 0.0047441 2012 2.11 0.1055 0.83754 0.003538 47 41411 -0.20359 0.0050136 2070.5 2.11 0.1055 0.8342 0.003724 48 42583 -0.21032 0.0049474 2129.1 2.11 0.1055 0.82922 0.0036529 49 43755 -0.20689 0.0048203 2187.8 2.11 0.1055 0.83176 0.00357 50 44927 -0.21075 0.0052337 2246.4 2.11 0.1055 0.8289 0.0038628 51 46099 -0.19956 0.0047827 2304.9 2.11 0.1055 0.8372 0.0035653 1 FileFormatVersion 1.0 2 DataFileTitle Polystyrene of Markus Strobl, Full Sine, ++ only 3 Sample Polystyrene 2 um in 53% H2O, 47% D2O 4 Settings D1=D2=20x8 mm,Ds = 16x10 mm (WxH), GF1 =scanning, GF2 = 2.5 A. 2 um polystyrene in 53% H2O, 47% D2O; 8.55% contrast 5 Operator CPD 6 Date do 10 jul 2014 16:37:30 7 ScanType sine one element scan 8 Thickness 2.00E-01 9 Thickness_unit cm 10 Theta_zmax 0.0168 11 Theta_zmax_unit radians 12 Theta_ymax 0.0168 13 Theta_ymax_unit radians 14 Orientation Z 15 SpinEchoLength_unit A 16 Depolarisation_unit A-2 cm-1 17 Wavelength_unit A 18 19 BEGIN_DATA 20 SpinEchoLength Depolarisation Depolarisation_error SpinEchoLength_error Wavelength Wavelength_error Polarisation Polarisation_error 21 391.56 0.0041929 0.0036894 19.578 2.11 0.1055 1.0037 0.0032974 22 1564 -0.0046571 0.0038185 78.2 2.11 0.1055 0.99586 0.003386 23 2735.6 -0.017007 0.0038132 136.78 2.11 0.1055 0.98497 0.0033444 24 3907.9 -0.033462 0.0035068 195.39 2.11 0.1055 0.97064 0.0030309 25 5080.2 -0.047483 0.0038208 254.01 2.11 0.1055 0.9586 0.0032613 26 6251.8 -0.070375 0.00376 312.59 2.11 0.1055 0.93926 0.0031446 27 7423.2 -0.092217 0.0037927 371.16 2.11 0.1055 0.92117 0.0031108 28 8595.5 -0.10238 0.004006 429.77 2.11 0.1055 0.91287 0.0032562 29 9767.7 -0.12672 0.0038534 488.39 2.11 0.1055 0.8933 0.0030651 30 10940 -0.1374 0.004243 546.98 2.11 0.1055 0.88484 0.003343 31 12112 -0.16072 0.0045837 605.58 2.11 0.1055 0.86666 0.0035372 32 13284 -0.16623 0.0045613 664.2 2.11 0.1055 0.86242 0.0035027 33 14456 -0.18468 0.0044918 722.79 2.11 0.1055 0.84837 0.0033931 34 15628 -0.19143 0.0048967 781.38 2.11 0.1055 0.84328 0.0036768 35 16800 -0.20029 0.0045421 840.02 2.11 0.1055 0.83666 0.0033837 36 17971 -0.19798 0.0046642 898.56 2.11 0.1055 0.83838 0.0034819 37 19143 -0.21442 0.0047052 957.17 2.11 0.1055 0.82619 0.0034614 38 20316 -0.20885 0.0044931 1015.8 2.11 0.1055 0.8303 0.0033218 39 21488 -0.21393 0.0049186 1074.4 2.11 0.1055 0.82655 0.00362 40 22660 -0.20685 0.004423 1133 2.11 0.1055 0.83179 0.0032758 41 23832 -0.20802 0.0046979 1191.6 2.11 0.1055 0.83092 0.0034758 42 25003 -0.19848 0.0045953 1250.2 2.11 0.1055 0.838 0.0034289 43 26175 -0.21117 0.0044567 1308.8 2.11 0.1055 0.82859 0.0032881 44 27347 -0.21283 0.004137 1367.4 2.11 0.1055 0.82736 0.0030477 45 28520 -0.2042 0.0044587 1426 2.11 0.1055 0.83375 0.0033101 46 29692 -0.2112 0.0042852 1484.6 2.11 0.1055 0.82857 0.0031615 47 30864 -0.20319 0.0043483 1543.2 2.11 0.1055 0.8345 0.003231 48 32036 -0.20752 0.0044297 1601.8 2.11 0.1055 0.83129 0.0032788 49 33207 -0.20654 0.0043188 1660.4 2.11 0.1055 0.83201 0.0031995 50 34380 -0.20126 0.0046375 1719 2.11 0.1055 0.83593 0.0034518 51 35551 -0.20924 0.0042871 1777.6 2.11 0.1055 0.83001 0.0031684 52 36724 -0.21323 0.0045471 1836.2 2.11 0.1055 0.82707 0.0033487 53 37895 -0.21324 0.0045354 1894.7 2.11 0.1055 0.82706 0.00334 54 39067 -0.19905 0.0044141 1953.4 2.11 0.1055 0.83758 0.003292 55 40239 -0.1991 0.0047441 2012 2.11 0.1055 0.83754 0.003538 56 41411 -0.20359 0.0050136 2070.5 2.11 0.1055 0.8342 0.003724 57 42583 -0.21032 0.0049474 2129.1 2.11 0.1055 0.82922 0.0036529 58 43755 -0.20689 0.0048203 2187.8 2.11 0.1055 0.83176 0.00357 59 44927 -0.21075 0.0052337 2246.4 2.11 0.1055 0.8289 0.0038628 60 46099 -0.19956 0.0047827 2304.9 2.11 0.1055 0.8372 0.0035653 -
src/sas/sascalc/data_util/qsmearing.py
r9a5097c re962d85 65 65 raise ValueError('one or more of your dx values are negative, please check the data file!') 66 66 67 if _found_sesans == True: 68 #Pre-compute the Hankel matrix (H) 69 qmax, qunits = data.sample.zacceptance 67 if _found_sesans: 68 # Pre-compute the Hankel matrix (H) 70 69 SElength = Converter(data._xunit)(data.x, "A") 71 zaccept = Converter(qunits)(qmax, "1/A"), 70 71 theta_max = Converter("radians")(data.sample.zacceptance)[0] 72 q_max = 2 * np.pi / np.max(data.source.wavelength) * np.sin(theta_max) 73 zaccept = Converter("1/A")(q_max, "1/" + data.source.wavelength_unit), 74 72 75 Rmax = 10000000 73 hankel = SesansTransform(data.x, SElength, zaccept, Rmax) 76 hankel = SesansTransform(data.x, SElength, 77 data.source.wavelength, 78 zaccept, Rmax) 74 79 # Then return the actual transform, as if it were a smearing function 75 80 return PySmear(hankel, model, offset=0) -
src/sas/sascalc/dataloader/readers/sesans_reader.py
r9a5097c rf6c2555 1 1 """ 2 2 SESANS reader (based on ASCII reader) 3 3 4 4 Reader for .ses or .sesans file format 5 6 Jurrian Bakker 5 6 Jurrian Bakker 7 7 """ 8 8 import numpy as np … … 18 18 _ZERO = 1e-16 19 19 20 20 21 class Reader: 21 22 """ 22 23 Class to load sesans files (6 columns). 23 24 """ 24 # #File type25 # File type 25 26 type_name = "SESANS" 26 27 # #Wildcards27 28 # Wildcards 28 29 type = ["SESANS files (*.ses)|*.ses", 29 30 "SESANS files (*..sesans)|*.sesans"] 30 # #List of allowed extensions31 # List of allowed extensions 31 32 ext = ['.ses', '.SES', '.sesans', '.SESANS'] 32 33 # #Flag to bypass extension check33 34 # Flag to bypass extension check 34 35 allow_all = True 35 36 36 37 def read(self, path): 37 38 # print "reader triggered"39 40 38 """ 41 39 Load data file 42 40 43 41 :param path: file path 44 42 45 43 :return: SESANSData1D object, or None 46 44 47 45 :raise RuntimeError: when the file can't be opened 48 46 :raise ValueError: when the length of the data vectors are inconsistent … … 51 49 basename = os.path.basename(path) 52 50 _, extension = os.path.splitext(basename) 53 if self.allow_all or extension.lower() in self.ext: 54 try: 55 # Read in binary mode since GRASP frequently has no-ascii 56 # characters that brakes the open operation 57 input_f = open(path,'rb') 58 except: 59 raise RuntimeError, "sesans_reader: cannot open %s" % path 60 buff = input_f.read() 61 lines = buff.splitlines() 62 x = np.zeros(0) 63 y = np.zeros(0) 64 dy = np.zeros(0) 65 lam = np.zeros(0) 66 dlam = np.zeros(0) 67 dx = np.zeros(0) 68 69 #temp. space to sort data 70 tx = np.zeros(0) 71 ty = np.zeros(0) 72 tdy = np.zeros(0) 73 tlam = np.zeros(0) 74 tdlam = np.zeros(0) 75 tdx = np.zeros(0) 76 output = Data1D(x=x, y=y, lam=lam, dy=dy, dx=dx, dlam=dlam, isSesans=True) 77 self.filename = output.filename = basename 51 if not (self.allow_all or extension.lower() in self.ext): 52 raise RuntimeError( 53 "{} has an unrecognized file extension".format(path)) 54 else: 55 raise RuntimeError("{} is not a file".format(path)) 56 with open(path, 'r') as input_f: 57 line = input_f.readline() 58 params = {} 59 while not line.startswith("BEGIN_DATA"): 60 terms = line.split() 61 if len(terms) >= 2: 62 params[terms[0]] = " ".join(terms[1:]) 63 line = input_f.readline() 64 self.params = params 78 65 79 paramnames=[] 80 paramvals=[] 81 zvals=[] 82 dzvals=[] 83 lamvals=[] 84 dlamvals=[] 85 Pvals=[] 86 dPvals=[] 66 if "FileFormatVersion" not in self.params: 67 raise RuntimeError("SES file missing FileFormatVersion") 68 if float(self.params["FileFormatVersion"]) >= 2.0: 69 raise RuntimeError("SASView only supports SES version 1") 87 70 88 for line in lines: 89 # Initial try for CSV (split on ,) 90 line=line.strip() 91 toks = line.split('\t') 92 if len(toks)==2: 93 paramnames.append(toks[0]) 94 paramvals.append(toks[1]) 95 if len(toks)>5: 96 zvals.append(toks[0]) 97 dzvals.append(toks[3]) 98 lamvals.append(toks[4]) 99 dlamvals.append(toks[5]) 100 Pvals.append(toks[1]) 101 dPvals.append(toks[2]) 102 else: 103 continue 71 if "SpinEchoLength_unit" not in self.params: 72 raise RuntimeError("SpinEchoLength has no units") 73 if "Wavelength_unit" not in self.params: 74 raise RuntimeError("Wavelength has no units") 75 if params["SpinEchoLength_unit"] != params["Wavelength_unit"]: 76 raise RuntimeError("The spin echo data has rudely used " 77 "different units for the spin echo length " 78 "and the wavelength. While sasview could " 79 "handle this instance, it is a violation " 80 "of the file format and will not be " 81 "handled by other software.") 104 82 105 x=[] 106 y=[] 107 lam=[] 108 dx=[] 109 dy=[] 110 dlam=[] 111 lam_header = lamvals[0].split() 112 data_conv_z = None 113 default_z_unit = "A" 114 data_conv_P = None 115 default_p_unit = " " # Adjust unit for axis (L^-3) 116 lam_unit = lam_header[1].replace("[","").replace("]","") 117 if lam_unit == 'AA': 118 lam_unit = 'A' 119 varheader=[zvals[0],dzvals[0],lamvals[0],dlamvals[0],Pvals[0],dPvals[0]] 120 valrange=range(1, len(zvals)) 121 for i in valrange: 122 x.append(float(zvals[i])) 123 y.append(float(Pvals[i])) 124 lam.append(float(lamvals[i])) 125 dy.append(float(dPvals[i])) 126 dx.append(float(dzvals[i])) 127 dlam.append(float(dlamvals[i])) 83 headers = input_f.readline().split() 128 84 129 x,y,lam,dy,dx,dlam = [130 np.asarray(v, 'double')131 for v in (x,y,lam,dy,dx,dlam)132 ]85 self._insist_header(headers, "SpinEchoLength") 86 self._insist_header(headers, "Depolarisation") 87 self._insist_header(headers, "Depolarisation_error") 88 self._insist_header(headers, "Wavelength") 133 89 134 input_f.close()90 data = np.loadtxt(input_f) 135 91 136 output.x, output.x_unit = self._unit_conversion(x, lam_unit, default_z_unit) 137 output.y = y 138 output.y_unit = r'\AA^{-2} cm^{-1}' # output y_unit added 139 output.dx, output.dx_unit = self._unit_conversion(dx, lam_unit, default_z_unit) 140 output.dy = dy 141 output.lam, output.lam_unit = self._unit_conversion(lam, lam_unit, default_z_unit) 142 output.dlam, output.dlam_unit = self._unit_conversion(dlam, lam_unit, default_z_unit) 143 144 output.xaxis(r"\rm{z}", output.x_unit) 145 output.yaxis(r"\rm{ln(P)/(t \lambda^2)}", output.y_unit) # Adjust label to ln P/(lam^2 t), remove lam column refs 92 if data.shape[1] != len(headers): 93 raise RuntimeError( 94 "File has {} headers, but {} columns".format( 95 len(headers), 96 data.shape[1])) 146 97 147 # Store loading process information 148 output.meta_data['loader'] = self.type_name 149 #output.sample.thickness = float(paramvals[6]) 150 output.sample.name = paramvals[1] 151 output.sample.ID = paramvals[0] 152 zaccept_unit_split = paramnames[7].split("[") 153 zaccept_unit = zaccept_unit_split[1].replace("]","") 154 if zaccept_unit.strip() == r'\AA^-1' or zaccept_unit.strip() == r'\A^-1': 155 zaccept_unit = "1/A" 156 output.sample.zacceptance=(float(paramvals[7]),zaccept_unit) 157 output.vars = varheader 98 if data.size < 1: 99 raise RuntimeError("{} is empty".format(path)) 100 x = data[:, headers.index("SpinEchoLength")] 101 if "SpinEchoLength_error" in headers: 102 dx = data[:, headers.index("SpinEchoLength_error")] 103 else: 104 dx = x*0.05 105 lam = data[:, headers.index("Wavelength")] 106 if "Wavelength_error" in headers: 107 dlam = data[:, headers.index("Wavelength_error")] 108 else: 109 dlam = lam*0.05 110 y = data[:, headers.index("Depolarisation")] 111 dy = data[:, headers.index("Depolarisation_error")] 158 112 159 if len(output.x) < 1: 160 raise RuntimeError, "%s is empty" % path 161 return output 113 lam_unit = self._unit_fetch("Wavelength") 114 x, x_unit = self._unit_conversion(x, "A", 115 self._unit_fetch( 116 "SpinEchoLength")) 117 dx, dx_unit = self._unit_conversion( 118 dx, lam_unit, 119 self._unit_fetch("SpinEchoLength")) 120 dlam, dlam_unit = self._unit_conversion( 121 dlam, lam_unit, 122 self._unit_fetch("Wavelength")) 123 y_unit = self._unit_fetch("Depolarisation") 162 124 163 else: 164 raise RuntimeError, "%s is not a file" % path 165 return None 125 output = Data1D(x=x, y=y, lam=lam, dy=dy, dx=dx, dlam=dlam, 126 isSesans=True) 166 127 167 def _unit_conversion(self, value, value_unit, default_unit): 168 if has_converter == True and value_unit != default_unit: 169 data_conv_q = Converter(value_unit) 170 value = data_conv_q(value, units=default_unit) 128 output.y_unit = y_unit 129 output.x_unit = x_unit 130 output.source.wavelength_unit = lam_unit 131 output.source.wavelength = lam 132 self.filename = output.filename = basename 133 output.xaxis(r"\rm{z}", x_unit) 134 # Adjust label to ln P/(lam^2 t), remove lam column refs 135 output.yaxis(r"\rm{ln(P)/(t \lambda^2)}", y_unit) 136 # Store loading process information 137 output.meta_data['loader'] = self.type_name 138 output.sample.name = params["Sample"] 139 output.sample.ID = params["DataFileTitle"] 140 output.sample.thickness = self._unit_conversion( 141 float(params["Thickness"]), "cm", 142 self._unit_fetch("Thickness"))[0] 143 144 output.sample.zacceptance = ( 145 float(params["Theta_zmax"]), 146 self._unit_fetch("Theta_zmax")) 147 148 output.sample.yacceptance = ( 149 float(params["Theta_ymax"]), 150 self._unit_fetch("Theta_ymax")) 151 return output 152 153 @staticmethod 154 def _insist_header(headers, name): 155 if name not in headers: 156 raise RuntimeError( 157 "Missing {} column in spin echo data".format(name)) 158 159 @staticmethod 160 def _unit_conversion(value, value_unit, default_unit): 161 """ 162 Performs unit conversion on a measurement. 163 164 :param value: The magnitude of the measurement 165 :param value_unit: a string containing the final desired unit 166 :param default_unit: string with the units of the original measurement 167 :return: The magnitude of the measurement in the new units 168 """ 169 # (float, string, string) -> float 170 if has_converter and value_unit != default_unit: 171 data_conv_q = Converter(default_unit) 172 value = data_conv_q(value, units=value_unit) 171 173 new_unit = default_unit 172 174 else: 173 175 new_unit = value_unit 174 176 return value, new_unit 177 178 def _unit_fetch(self, unit): 179 return self.params[unit+"_unit"]
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