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fix Omega as str from Bruker Raw as per #190
1 parent f2563aa commit 04750e5

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1 file changed

+12
-9
lines changed

1 file changed

+12
-9
lines changed

GSASII/imports/G2pwd_BrukerRAW.py

Lines changed: 12 additions & 9 deletions
Original file line numberDiff line numberDiff line change
@@ -30,13 +30,13 @@ def ContentsValidator(self, filename):
3030
if 'bytes' in str(type(head)):
3131
head = head.decode('latin-1')
3232
if head[:4] == 'RAW ':
33-
self.formatName = 'Bruker RAW ver. 1'
33+
self.fmtVer = 'Bruker RAW ver. 1'
3434
elif head[:4] == 'RAW2':
35-
self.formatName = 'Bruker RAW ver. 2'
35+
self.fmtVer = 'Bruker RAW ver. 2'
3636
elif head == 'RAW1.01':
37-
self.formatName = 'Bruker RAW ver. 3'
37+
self.fmtVer = 'Bruker RAW ver. 3'
3838
elif head == 'RAW4.00':
39-
self.formatName = 'Bruker RAW ver. 4'
39+
self.fmtVer = 'Bruker RAW ver. 4'
4040
pwdrscan = fp.read()
4141
nBanks = pwdrscan.count(b'2Theta')
4242
if not len(self.selections):
@@ -60,9 +60,9 @@ def Reader(self,filename, ParentFrame=None, **kwarg):
6060
self.comments = []
6161
self.powderentry[0] = filename
6262
fp = open(filename,'rb')
63-
if 'ver. 1' in self.formatName:
63+
if 'ver. 1' in self.fmtVer:
6464
raise Exception('Read of Bruker "RAW " (pre-version #) file not supported') #for now
65-
elif 'ver. 2' in self.formatName:
65+
elif 'ver. 2' in self.fmtVer:
6666
fp.seek(4)
6767
nBlock = int(st.unpack('<i',fp.read(4))[0])
6868
fp.seek(168)
@@ -100,7 +100,7 @@ def Reader(self,filename, ParentFrame=None, **kwarg):
100100
else:
101101
self.repeat = True
102102
fp.close()
103-
elif 'ver. 3' in self.formatName:
103+
elif 'ver. 3' in self.fmtVer:
104104
fp.seek(12)
105105
nBlock = int(st.unpack('<i',fp.read(4))[0])
106106
self.comments.append('Date='+self.Read(fp,10))
@@ -162,7 +162,7 @@ def Reader(self,filename, ParentFrame=None, **kwarg):
162162
self.repeat = True
163163
fp.close()
164164

165-
elif 'ver. 4' in self.formatName:
165+
elif 'ver. 4' in self.fmtVer:
166166
driveNo = 0
167167
fp.seek(12) #ok
168168
self.comments.append('Date='+self.Read(fp,12).strip('\x00'))
@@ -246,7 +246,10 @@ def Reader(self,filename, ParentFrame=None, **kwarg):
246246
meta['Temperature'] = st.unpack('<f',fp.read(4))[0]
247247
if meta['Temperature'] > 7.: #one raw4 file had int4='9999' in this place & <7K unlikely for lab data
248248
self.Sample['Temperature'] = meta['Temperature']
249-
self.Sample['Omega'] = meta['start Theta']
249+
try:
250+
self.Sample['Omega'] = float(meta['start Theta'])
251+
except:
252+
pass
250253
fp.read(12)
251254
x = np.array([startAngle+i*stepSize for i in range(Nsteps)])
252255
y = np.array([max(1.,st.unpack('<f',fp.read(4))[0]) for i in range(Nsteps)])

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