Unverified Commit 6ca68730 authored by peastman's avatar peastman Committed by GitHub
Browse files

Fixed warnings about string comparisons (#2859)

parent 96ef252c
...@@ -408,7 +408,7 @@ class DesmondDMSFile(object): ...@@ -408,7 +408,7 @@ class DesmondDMSFile(object):
else: else:
raise IOError("No HCT parameters found in DMS file") raise IOError("No HCT parameters found in DMS file")
if implicitSolvent is 'AGBNP3': if implicitSolvent == 'AGBNP3':
#load AGBNP3 plugin if available #load AGBNP3 plugin if available
try: try:
from AGBNP3plugin import AGBNP3Force from AGBNP3plugin import AGBNP3Force
...@@ -430,14 +430,14 @@ class DesmondDMSFile(object): ...@@ -430,14 +430,14 @@ class DesmondDMSFile(object):
else: else:
raise IOError("No AGBNP parameters found in DMS file") raise IOError("No AGBNP parameters found in DMS file")
if implicitSolvent is 'GVolSA': if implicitSolvent == 'GVolSA':
#implemented as AGBNP version 0 #implemented as AGBNP version 0
implicitSolvent = 'AGBNP' implicitSolvent = 'AGBNP'
AGBNPVersion = 0 AGBNPVersion = 0
if self._verbose: if self._verbose:
print('Using GVolSA') print('Using GVolSA')
if implicitSolvent is 'AGBNP': if implicitSolvent == 'AGBNP':
#load AGBNP plugin if available #load AGBNP plugin if available
try: try:
from AGBNPplugin import AGBNPForce from AGBNPplugin import AGBNPForce
......
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