Thats great input.
Thanks alot, will check.
Martin
On 27.04.16 20:36, Sampson, Jared M. wrote:
Hi Martin -
I've also experienced this kind of tedium. Depending on the type of extension
it is, you could also consider writing tests for your function that can be run
by either:
a) importing PyMOL commands into a python (.py) script and running e.g.
`nosetests` or other unit testing software
```extension_tests.pml
import pymol
from pymol import cmd
pymol.finish_launching()
...do stuff here...
```
or,
b) run PyMOL (.pml) scripts in command line only mode.
For example, I've used approach (b) before with a setup something like this:
```test1.pml
from pymol import cmd
frag ala
python
if 'ala' in cmd.get_names():
print 'OK'
else:
print 'Not OK'
python end
```
Then run each test from the shell:
```
pymol -cq test1.pml
```
For running many tests automatically, I've also used a "run_tests.sh" that
looks something like this:
```run_tests.sh
#!/bin/bash
function run_test() {
PML="test${1}.pml"
if [ -f "$PML" ]; then
echo ""
echo
"################################################################################"
echo "Running Test ${1}: $PML"
echo ""
pymol -ckq $PML
echo ""
fi
}
# call `./run_tests.sh` with no args to run all the tests (up to 100)
if [ $# -lt 1 ]; then
for i in {1..100} # increase if you have more than 100 tests
do
run_test $i
done
# call with args, e.g. `./run_tests.sh 1 2 4 7` to run specific test(s)
else
for i in $@
do
run_test $i
done
fi
```
Hope this is helpful. Good luck!
Cheers,
Jared
On Apr 25, 2016, at 11:06 AM, Thomas Holder <thomas.hol...@schrodinger.com>
wrote:
Hi Martin,
how about:
set_key F1, run script.py; function_from_script()
Reduces step 3) and 4) to hitting "F1" on the keyboard.
Cheers,
Thomas
On 24 Apr 2016, at 06:36, Martin Hediger <ma....@bluewin.ch> wrote:
Hi all
When working on a PyMOL extension script, my workflow is currently something
like this:
1) Start PyMOL
2) Work on script
3) PyMOL> run script.py
4) PyMOL> function_from_script()
5) See if function works, go back to 2)
Is it possible to have PyMOL automatically re-run the script everytime i save
it?
Thanks and best regards
Martin
--
Martin R. Hediger, PhD
Mittlere Strasse 65
4056 Basel
--
Thomas Holder
PyMOL Principal Developer
Schrödinger, Inc.
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