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bug fix: parsing and display of transferred processed directory enabled
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tkrojer committed Mar 14, 2019
1 parent f153e7b commit 68b2674
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Showing 2 changed files with 7 additions and 7 deletions.
10 changes: 6 additions & 4 deletions lib/XChemMain.py
Original file line number Diff line number Diff line change
Expand Up @@ -43,14 +43,13 @@ def get_target_and_visit_list(beamline_directory):
beamline_directory.split('/')[1]=='dls' and beamline_directory.split('/')[3]=='data' \
and not 'labxchem' in beamline_directory:
visit_list.append(beamline_directory)
elif os.path.islink(beamline_directory):
visit_list.append(os.path.realpath(beamline_directory))
else:
for dir in glob.glob(beamline_directory+'/*'):
visit_list.append(os.path.realpath(dir))
visit_list.append(os.path.realpath(beamline_directory))

for visit in visit_list:
print '-->',os.path.join(visit,'processed','*')
for target in glob.glob(os.path.join(visit,'processed','*')):
print target
if target[target.rfind('/')+1:] not in ['results','README-log','edna-latest.html']:
if target[target.rfind('/')+1:] not in target_list:
target_list.append(target[target.rfind('/')+1:])
Expand Down Expand Up @@ -528,6 +527,9 @@ def getVisitAndBeamline(visitDirectory):
beamline=visitDirectory.split('/')[2]
except IndexError:
pass
if not visitDirectory.startswith('/dls'):
visit = 'unknown'
beamline = 'unknown'
return visit,beamline


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4 changes: 1 addition & 3 deletions lib/XChemThread.py
Original file line number Diff line number Diff line change
Expand Up @@ -1683,10 +1683,8 @@ def prepare_dimple_shell_script(self,xtal,visit_run_autoproc,mtzin,ref_pdb,ref_m
' resolution file 1 999.0 %s\n' %str(round(float(mtzFile.d_min()),2))+
'eof\n'
'\n'
"dimple --no-cleanup %s.999A.mtz %s %s %s %s dimple\n" %(xtal,ref_pdb,ref_mtz,ref_cif,twin) +
"dimple --no-cleanup %s.999A.mtz %s %s %s %s dimple\n" % (xtal, ref_pdb, ref_mtz, ref_cif, twin) +
'\n'
# 'dimple --no-cleanup %s %s %s %s dimple\n' %(mtzin,ref_pdb,ref_mtz,ref_cif) +
# '\n'
'fft hklin dimple/final.mtz mapout 2fofc.map << EOF\n'
' labin F1=FWT PHI=PHWT\n'
'EOF\n'
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