def check_contaminants_if_bad(wf, mtz):
ref_job = wf.get_final_refinement_job()
if not ref_job or ref_job.data.get('free_r', 1) > GOOD_FINAL_RFREE:
mtz_meta = wf.read_mtz_metadata(mtz) # it's cached
info = contaminants.get_info(mtz_meta)
if info:
comment('\n' + info)
def check_contaminants_if_bad(wf, mtz):
ref_job = wf.get_final_refinement_job()
if not ref_job or ref_job.data.get('free_r', 1) > GOOD_FINAL_RFREE:
mtz_meta = wf.read_mtz_metadata(mtz) # it's cached
info = contaminants.get_info(mtz_meta)
if info:
comment('\n' + info)
def special_mtz_mode(args):
print('Usage: %s' % USAGE_SHORT)
check_ccp4_envvars()
wf = workflow.Workflow('')
wf.enable_logs = False
try:
mtz_meta = wf.read_mtz_metadata(args[0])
print('Basic MTZ file info:')
print(mtz_meta.info())
contam_info = contaminants.get_info(mtz_meta)
if contam_info:
print(contam_info)
except (IOError, RuntimeError) as e:
put_error(e)
def special_mtz_mode(args):
print 'Usage: %s' % USAGE_SHORT
check_ccp4_envvars()
wf = workflow.Workflow('')
wf.enable_logs = False
try:
mtz_meta = wf.read_mtz_metadata(args[0])
print 'Basic MTZ file info:'
print mtz_meta.info()
contam_info = contaminants.get_info(mtz_meta)
if contam_info:
print contam_info
except (IOError, RuntimeError) as e:
put_error(e)