From 7a34b5a36f5a36040945c7b72317efe80fef9e3b Mon Sep 17 00:00:00 2001 From: alongd Date: Fri, 10 May 2019 14:24:03 -0400 Subject: [PATCH] Changed warning in Arkane common.py to the string.format method --- arkane/common.py | 7 +++---- 1 file changed, 3 insertions(+), 4 deletions(-) diff --git a/arkane/common.py b/arkane/common.py index b99effa5a6..cc7e524cd6 100644 --- a/arkane/common.py +++ b/arkane/common.py @@ -309,10 +309,9 @@ def check_conformer_energy(Vlist, path): Vlist = numpy.array(Vlist, numpy.float64) Vdiff = (Vlist[0] - numpy.min(Vlist)) * constants.E_h * constants.Na / 1000 if Vdiff >= 2: # we choose 2 kJ/mol to be the critical energy - logging.warning('the species corresponding to ' + str(os.path.basename(path)) - + ' is different in energy from the lowest energy conformer by ' - + "%0.2f" % Vdiff + ' kJ/mol. This can cause significant errors in your computed ' - 'rate constants. ') + logging.warning('the species corresponding to {path} is different in energy from the lowest energy conformer ' + 'by {diff} kJ/mol. This can cause significant errors in your computed rate constants.'.format( + path=os.path.basename(path), diff=Vdiff)) def get_element_mass(input_element, isotope=None):