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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