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Change logging message to error.

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Fixes https://github.com/jensengroup/propka/pull/109#discussion_r532735233 based on suggestion from @orbeckst.
This commit is contained in:
Nathan Baker
2020-11-30 15:17:18 -08:00
parent fda4fe577b
commit c281623078
1 changed files with 7 additions and 7 deletions
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14
propka/ligand_pka_values.py
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@@ -163,20 +163,20 @@ class LigandPkaValues:
[self.cxcalc, filename]+options.split(), stdout=subprocess.PIPE, [self.cxcalc, filename]+options.split(), stdout=subprocess.PIPE,
stderr=subprocess.PIPE).communicate() stderr=subprocess.PIPE).communicate()
if len(errors) > 0: if len(errors) > 0:
_LOGGER.info( _LOGGER.error(
'***********************************************************' '***********************************************************'
'*********************************************') '*********************************************')
_LOGGER.info( _LOGGER.error(
'* Warning: Marvin execution failed: ' '* Error: Marvin execution failed: '
' *') ' *')
_LOGGER.info('* {0:<100s} *'.format(errors)) _LOGGER.error('* {0:<100s} *'.format(errors))
_LOGGER.info( _LOGGER.error(
'* ' '* '
' *') ' *')
_LOGGER.info( _LOGGER.error(
'* Please edit the ligand mol2 file and re-run PropKa with ' '* Please edit the ligand mol2 file and re-run PropKa with '
'the -l option: {0:>29s} *'.format(filename)) 'the -l option: {0:>29s} *'.format(filename))
_LOGGER.info( _LOGGER.error(
'***********************************************************' '***********************************************************'
'*********************************************') '*********************************************')
sys.exit(-1) sys.exit(-1)