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commit bad64468c8d5052d169271512629720d72119790 Author: latticetower-guest <[email protected]> Date: Wed Jun 15 01:24:17 2016 +0300 add another test (which currently raises error)+updated changelog and docs --- debian/changelog | 4 ++++ debian/docs | 2 ++ debian/tests/control | 2 +- debian/tests/pdb2pka-test | 40 ++++++++++++++++++++++++++++++++++++++++ 4 files changed, 47 insertions(+), 1 deletion(-) diff --git a/debian/changelog b/debian/changelog index 326279f..0ae0d03 100644 --- a/debian/changelog +++ b/debian/changelog @@ -4,6 +4,10 @@ pdb2pqr (2.1.1+dfsg-2) UNRELEASED; urgency=medium * add README.test, docs, examples and simple testsuite * enable hardening * add patch to remove hardening-no-relro warning + * improved tests: add separate tests for use with pdb2pqr-doc installed and + without it + * found parameter set when error raised (described in `pdb2pka-test` + in testsuite), updated d/docs -- Tatiana Malygina <[email protected]> Mon, 13 Jun 2016 15:31:19 +0000 diff --git a/debian/docs b/debian/docs index 031ed39..3666230 100644 --- a/debian/docs +++ b/debian/docs @@ -1,2 +1,4 @@ debian/README.test debian/tests/installation-test +debian/tests/ligands-test +debian/tests/pdb2pka-test diff --git a/debian/tests/control b/debian/tests/control index 2999c55..c9e4ae8 100644 --- a/debian/tests/control +++ b/debian/tests/control @@ -2,6 +2,6 @@ Tests: installation-test Depends: pdb2pqr Restrictions: allow-stderr -Tests: ligands-test +Tests: ligands-test, pdb2pka-test Depends: @ Restrictions: allow-stderr diff --git a/debian/tests/pdb2pka-test b/debian/tests/pdb2pka-test new file mode 100644 index 0000000..25e001d --- /dev/null +++ b/debian/tests/pdb2pka-test @@ -0,0 +1,40 @@ +#!/bin/sh +# autopkgtest check: build and run with default test data +# Author: Tatiana Malygina <[email protected]> +# this test is turned off now - currently raises error, explained in comments. + +set -e + +pkg=pdb2pqr +example_pkg=pdb2pqr-doc + +if [ "$ADTTMP" = "" ] ; then + ADTTMP=$(mktemp -d /tmp/${pkg}-test.XXXXXX) + trap "rm -rf $ADTTMP" 0 INT QUIT ABRT PIPE TERM +fi + +cd $ADTTMP + +cp -a /usr/share/doc/${example_pkg}/examples/* . +find . -type f -name "*.gz" -exec gunzip \{\} \; +for lnk in `find . -type l -name "*.gz"` ; do + ln -s `basename $(readlink $lnk) .gz` `echo $lnk | sed 's/\.gz$//'` + rm $lnk +done + +echo "Run pdb2pqr..." + +## following fails (this call also present in fabfile.py): +pdb2pqr --with-ph=7.0 --ph-calc-method=pdb2pka --ff=parse --verbose 1a1p 1a1p.pqr +## Traceback: +## Running PDB2PKA and applying at pH 7.00... +## Traceback (most recent call last): +## File "/usr/bin/pdb2pqr", line 62, in <module> +## mainCommand(sys.argv) +## File "/usr/share/pdb2pqr/main.py", line 740, in mainCommand +## include_old_header = options.include_header) +## File "/usr/share/pdb2pqr/main.py", line 341, in runPDB2PQR +## myRoutines.runPDB2PKA(ph, ff, pdblist, ligand, verbose, ph_calc_options) +## File "/usr/share/pdb2pqr/src/routines.py", line 1503, in runPDB2PKA +## import pka +## ImportError: No module named pka -- Alioth's /usr/local/bin/git-commit-notice on /srv/git.debian.org/git/debian-med/pdb2pqr.git _______________________________________________ debian-med-commit mailing list [email protected] http://lists.alioth.debian.org/cgi-bin/mailman/listinfo/debian-med-commit
