This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License (GPL) as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version.
This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.
You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
Download the tarball CIFTEST.tar.gz and unpack it to create the CIFTEST_2.1 directory in the current directory. See the following material to then use what you have unpacked.
CIFTEST2 is a test kit for CIF software. The current version supports vcif, CIFFOLD, cif2cif, cif2xml, ciftbx, cif2pdb and cyclops. It is a shell script (sh) assuming the following directory tree structure:
|-- CIFTEST_2.1.tar.gz -> ../CIFTEST_2.1.tar.gz
|-- CIFTEST_README.html
|-- COPYING
|-- README.odt
|-- README.txt
|-- args
| |-- cif2cbf
| | |-- c2ctest0.cif.args
| | |-- c2ctest1.cif.args
| | |-- ciftest0.cif.args
| | |-- ciftest1.cif.args
| | |-- ciftest10.cif.args
| | |-- ciftest11.cif.args
| | |-- ciftest2.cif.args
| | |-- ciftest3.cif.args
| | |-- ciftest4.cif.args
| | |-- ciftest5.cif.args
| | |-- ciftest6.cif.args
| | |-- ciftest7.cif.args
| | |-- ciftest8.cif.args
| | `-- ciftest9.cif.args
| |-- ciffold
| | |-- 1ejg.cif.args
| | |-- longcomments.cif.args
| | `-- longtext.cif.args
| |-- ciftbx
| `-- vcif
| |-- ciftest0.args
| |-- ciftest1.args
| |-- ciftest10.args
| |-- ciftest11.args
| |-- ciftest2.args
| |-- ciftest3.args
| |-- ciftest4.args
| |-- ciftest5.args
| |-- ciftest6.args
| |-- ciftest7.args
| |-- ciftest8.args
| `-- ciftest9.args
|-- ciftest2
|-- descriptions
| |-- cif2cbf
| | |-- c2ctest0.cif.purpose
| | |-- c2ctest1.cif.purpose
| | |-- ciftest0.cif.purpose
| | |-- ciftest1.cif.purpose
| | |-- ciftest10.cif.purpose
| | |-- ciftest11.cif.purpose
| | |-- ciftest2.cif.purpose
| | |-- ciftest3.cif.purpose
| | |-- ciftest4.cif.purpose
| | |-- ciftest5.cif.purpose
| | |-- ciftest6.cif.purpose
| | |-- ciftest7.cif.purpose
| | |-- ciftest8.cif.purpose
| | `-- ciftest9.cif.purpose
| |-- ciffold
| |-- ciftbx
| `-- vcif
| |-- ciftest0.purpose
| |-- ciftest1.purpose
| |-- ciftest10.purpose
| |-- ciftest11.purpose
| |-- ciftest2.purpose
| |-- ciftest3.purpose
| |-- ciftest4.purpose
| |-- ciftest5.purpose
| |-- ciftest6.purpose
| |-- ciftest7.purpose
| |-- ciftest8.purpose
| `-- ciftest9.purpose
|-- dictionaries
| |-- cif_cml.dic
| |-- cif_core.dic
| `-- cif_mm.dic
|-- errs
| |-- cif2cbf
| |-- ciffold
| |-- ciftbx
| `-- vcif
|-- gens
| |-- cif2cbf
| |-- ciffold
| |-- ciftbx
| `-- vcif
|-- origs
| |-- cif2cbf
| | |-- c2ctest0.cif
| | |-- c2ctest1.cif
| | |-- cif_cml.dic -> ../../dictionaries/cif_cml.dic
| | |-- cif_core.dic -> ../../dictionaries/cif_core.dic
| | |-- cif_mm.dic -> ../../dictionaries/cif_mm.dic
| | |-- ciftest0.cif
| | |-- ciftest1.cif
| | |-- ciftest10.cif
| | |-- ciftest11.cif
| | |-- ciftest2.cif
| | |-- ciftest3.cif
| | |-- ciftest4.cif
| | |-- ciftest5.cif
| | |-- ciftest6.cif
| | |-- ciftest7.cif
| | |-- ciftest8.cif
| | `-- ciftest9.cif
| |-- ciffold
| | |-- 1ejg.cif
| | |-- 1zrt.cif
| | |-- longcomments.cif
| | `-- longtext.cif
| |-- ciftbx
| | |-- 1ace.cif
| | |-- 1crn.cif
| | |-- 1cro.cif
| | |-- 1cwp.cif
| | |-- 1hyh.cif
| | |-- 1zrt.cif
| | |-- 2ace.cif
| | |-- 4hir.cif
| | |-- 4ins.cif
| | |-- 5hvp.cif
| | |-- ADH041.cif
| | |-- BDL001.cif
| | |-- BDLB13.cif
| | |-- DDF040.cif
| | |-- STARDICT
| | |-- c2ctest0.cif
| | |-- c2ctest1.cif
| | |-- cif_cml.dic -> ../../dictionaries/cif_cml.dic
| | |-- cif_core.dic -> ../../dictionaries/cif_core.dic
| | |-- cif_mm.dic -> ../../dictionaries/cif_mm.dic
| | |-- mtest.prt
| | |-- qtest.cif
| | |-- qtest.req
| | |-- test.cif
| | |-- test.req
| | `-- xtalt2.cif
| `-- vcif
| |-- ciftest0
| |-- ciftest1
| |-- ciftest10
| |-- ciftest11
| |-- ciftest2
| |-- ciftest3
| |-- ciftest4
| |-- ciftest5
| |-- ciftest6
| |-- ciftest7
| |-- ciftest8
| `-- ciftest9
`-- outs
|-- cif2cbf
| |-- c2ctest0.cif.result
| |-- c2ctest1.cif.result
| |-- ciftest0.cif.result
| |-- ciftest1.cif.result
| |-- ciftest10.cif.result
| |-- ciftest11.cif.result
| |-- ciftest2.cif.result
| |-- ciftest3.cif.result
| |-- ciftest4.cif.result
| |-- ciftest5.cif.result
| |-- ciftest6.cif.result
| |-- ciftest7.cif.result
| |-- ciftest8.cif.result
| `-- ciftest9.cif.result
|-- ciffold
| |-- 1ejg_out.cif
| |-- 1ejg_out2.cif
| |-- 1ejg_rebuilt.cif
| |-- 1ejg_rebuilt2.cif
| |-- 1zrt_out.cif
| |-- 1zrt_out2.cif
| |-- 1zrt_rebuilt.cif
| |-- 1zrt_rebuilt2.cif
| |-- longcomments_out.cif
| |-- longcomments_out2.cif
| |-- longcomments_out2.cif~
| |-- longtext_out.cif
| `-- longtext_out2.cif
|-- ciftbx
| |-- 1ace.stwid
| |-- 1ace.tpdb
| |-- 1ace.twid
| |-- 1crn.tpdb
| |-- 1crn.twid
| |-- 1cro.tpdb
| |-- 1cro.twid
| |-- 1cwp.tpdb
| |-- 1cwp.twid
| |-- 1hyh.tpdb
| |-- 1hyh.twid
| |-- 1zrt.tpdb
| |-- 1zrt.twid
| |-- 2ace.tpdb
| |-- 2ace.twid
| |-- 4hir.tpdb
| |-- 4hir.twid
| |-- 4ins.out
| |-- 4ins.out.x
| |-- 4ins.prt
| |-- 4ins.prt.x
| |-- 4ins.tpdb
| |-- 4ins.twid
| |-- 4insuw.out
| |-- 4insuw.prt
| |-- 4insw.out
| |-- 4insw.prt
| |-- 5hvp.tpdb
| |-- 5hvp.twid
| |-- ADH041.tpdb
| |-- ADH041.twid
| |-- BDL001.tpdb
| |-- BDL001.twid
| |-- BDLB13.tpdb
| |-- BDLB13.twid
| |-- DDF040.tpdb
| |-- DDF040.twid
| |-- c2ctest0.out
| |-- c2ctest1.out
| |-- cyclops_test.prt
| |-- mtest.cyc
| |-- mtest.out
| |-- mtest.prt
| |-- mtest.xml
| |-- qtest.out
| |-- qtest.prt
| |-- test.out
| |-- test.prt
| |-- testrle.prt
| |-- xtalt2.out
| |-- xtalt2.out.x
| |-- xte29.out
| |-- xte29.out.x
| |-- xttne9.out
| `-- xttne9.out.x
`-- vcif
|-- ciftest0.result
|-- ciftest1.result
|-- ciftest10.result
|-- ciftest11.result
|-- ciftest2.result
|-- ciftest3.result
|-- ciftest4.result
|-- ciftest5.result
|-- ciftest6.result
|-- ciftest7.result
|-- ciftest8.result
`-- ciftest9.result
Before using CIFTEST v.2 please update the paths in the file "ciftest2". This can be done by setting the appropriate environment variables:
| Variable | Meaning |
|---|---|
| CIFTEST2DIR | path to the CIFTEST2 directory |
| VCIF | full path of vcif program |
| CIF2CIF | full path of cif2cif program |
| CIF2CBF | full path of cif2cbf program |
| CIF2PDB | full path of cif2pdb program |
| CIF2XML | full path to cif2xml program |
| CIFTBX_EX | full path to CIFtbx tbx_ex program |
| CIFTBX_EXM | full path to CIFtbx tbx_exm program |
| CIFTBX_TESTRLE | full path to CIFtbx testrle program |
| PREFIX | prefix for the bin directory containing programs to be tested e.g. /usr/local only used for programs not specified above |
If you are using one of the sh-style shells, and you have put the programs to be tested into /usr/local/bin, and will execute ciftest2 from from the installation directory, you might do:
CIFTEST2DIR=. PREFIX=/usr/local/bin export CIFTEST2DIR export PREFIX
or, if you use csh, you might do:
setenv CIFTEST2DIR . setenv PREFIX /usr/local/bin
If you are trying out, some new version of, say, ciffold_0.5.4, and installed that binary as ~/bin/ciffold_0.5.4, you might override the use of PREFIX, above, for that particular program with:
CIFFOLD=~/bin/ciffold_0.5.4 EXPORT CIFFOLD
or
setenv CIFFOLD ~/bin/ciffold_0.5.4
ciftest2 vcif -> performs vcif tests ciftest2 ciffold -> performs CIFFOLD tests ciftest2 cif2cbf -> performs cif2cbf tests ciftest2 cif2cif -> performs cif2cif tests ciftest2 cif2pdb -> performs cif2pdb tests ciftest2 cif2xml -> performs cif2xml tests ciftest2 ciftbx -> performs ciftbx tests ciftest2 cyclops -> performs cyclops tests ciftest2 ciftbx3 -> performs all ciftbx3 tests ciftest2 all -> pefroms all tests ciftest2 clean -> removes all output and diff files