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open
pdbfixer
Commits
00469843
Commit
00469843
authored
Mar 28, 2014
by
John Chodera (MSKCC)
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Updated tests to use URL download.
parent
19e9c1f4
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2 changed files
with
15 additions
and
11 deletions
+15
-11
.travis.yml
+1
-1
tests/test_build.py
+14
-10
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.travis.yml
View file @
00469843
language
:
c
language
:
c
install
:
install
:
-
sudo apt-get update -qq
-
sudo apt-get update -qq
-
sudo apt-get install -qq python-dev python-pip python-yaml g++
-
sudo apt-get install -qq python-dev python-pip python-yaml g++
ftp
-
sudo pip install conda
-
sudo pip install conda
-
sudo conda init
-
sudo conda init
-
conda config --add channels http://conda.binstar.org/omnia
-
conda config --add channels http://conda.binstar.org/omnia
...
...
tests/test_build.py
View file @
00469843
...
@@ -4,16 +4,21 @@ from pdbfixer.pdbfixer import *
...
@@ -4,16 +4,21 @@ from pdbfixer.pdbfixer import *
import
os
import
os
import
sys
import
sys
# These are tough PDB codes from http://www.umass.edu/microbio/chime/pe_beta/pe/protexpl/badpdbs.htm
def
test_build
():
pdbcodes
=
[
'1AS5'
,
'1CBN'
,
'1DPO'
,
'1IGY'
,
'1HAG'
,
'1IAO'
,
'4CPA'
,
'1QCQ'
]
# These are tough PDB codes from http://www.umass.edu/microbio/chime/pe_beta/pe/protexpl/badpdbs.htm
pdbcodes
=
[
'1AS5'
,
'1CBN'
,
'1DPO'
,
'1IGY'
,
'1HAG'
,
'1IAO'
,
'4CPA'
,
'1QCQ'
]
pdbcodes
=
[
'1VII'
]
# DEBUG
# Set up PDB retrieval.
# Set up PDB retrieval.
pdblist
=
PDBList
(
)
pdblist
=
PDBList
(
server
=
PDBList
.
alternative_download_url
)
for
pdbcode
in
pdbcodes
:
success
=
True
for
pdbcode
in
pdbcodes
:
try
:
try
:
input_pdb_filename
=
pdblist
.
retrieve_pdb_file
(
pdbcode
,
pdir
=
'.'
)
input_pdb_filename
=
pdblist
.
retrieve_pdb_file
(
pdbcode
,
pdir
=
'.'
)
except
:
except
Exception
as
e
:
print
str
(
e
)
print
"Could not download PDB code '
%
s'"
%
pdbcode
print
"Could not download PDB code '
%
s'"
%
pdbcode
continue
continue
...
@@ -51,10 +56,9 @@ for pdbcode in pdbcodes:
...
@@ -51,10 +56,9 @@ for pdbcode in pdbcodes:
except
Exception
as
e
:
except
Exception
as
e
:
print
str
(
e
)
print
str
(
e
)
sys
.
exit
(
1
)
success
=
False
# Signal success.
if
not
success
:
sys
.
exit
(
0
)
raise
Exception
(
"build test failed on one or more PDB files."
)
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