diff --git a/lib/XChemMain.py b/lib/XChemMain.py index f3a7dadc..a8cf4dab 100755 --- a/lib/XChemMain.py +++ b/lib/XChemMain.py @@ -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:]) @@ -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 diff --git a/lib/XChemThread.py b/lib/XChemThread.py index e5280025..80936c3d 100755 --- a/lib/XChemThread.py +++ b/lib/XChemThread.py @@ -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'