def main():
"""
Creates an instance of the plugin manager and configures is
appropriately.
After configuration the plugin manager is executed.
"""
if 'help' in argv:
print '\n\n########################################################################################\n' '# myProject #\n' '########################################################################################\n'
print 'A program for '
exit()
argvs=argv[0:1]+['-myProject']+argv[1:]
config_file = expanduser(join('~', '.myProject.ini'))
if not isfile(config_file):
from lauescript.makeconfig import run
run(outputName='~/.myProject.ini',
data_path=join(dirname(dirname(dirname(dirname(realpath(__file__))))), join('lauescript', 'data')),
plugin_path=join(dirname(dirname(realpath(__file__))), join('myproject', 'src')))
pm = pluginmanager.PluginManager(argvs=argvs,
headline=' myProject ',
bottomline=' Exiting myProject ',
headlines=False,
config=config_file,
macro_file=False)
pm.execute()
exit()
def main():
"""
Creates an instance of the plugin manager and configures is
appropriately.
After configuration the plugin manager is executed.
"""
if 'help' in argv:
print('\n\n########################################################################################\n' '# APDToolkit #\n' '########################################################################################\n')
print('A program for estimating hydrogen ADPs from the Invariom databse.')
print("""
Usage:
Plugins are called by using '-' as a prefix for the plugin KEY. e.g.: the Write plugin has the KEY 'W' and can
be started with '-W'. The execution order of plugins is the same as the order of statements on the cmd line.
Options are not prefixed by '-' characters. Every plugin has its own set of options. Some of them require their
own arguments. In these cases the argument is separated from the option with a whitespace character.
Every option is assigned to the plugin specified last on the cmd line when reading the line from left to right.
e.g.: '-A -W write out.res -A' assigns the option 'file' with the parameter 'out.res' to the plugin Write.
The main program accepts two options:
[help] to print this message.
[load <arg>] to load a specific crystallographic data file.
Commonly used plugins:
[T] Perform a TLS fit
[A] Perform an automatic rigid body segmentation and perform a subsequent segmented rigid body fit.
[W] Write an output file of the same format as the input file.
[S] Scale ADPs from different models onto each other.
[descent] Write an invarioms.descent file.
[compare] Compare to structure models quantitatively.
Consult the heads of plugin files for detailed plugin information.
Plugins are located as specified in '~/.APDToolkit.ini'
To create a file (out.res' with estimated H-APDs by automatic segmented rigid body analysis use
>>> APDToolkit load <fileName> -A -W write out.res <<<
""")
exit()
if not '-D' in argv and not '-micro' in argv:
argvs=argv[0:1]+['-APDToolkit']+argv[1:]
else:
argvs = argv
config_file = expanduser(join('~', '.APDToolkit.ini'))
if not isfile(config_file):
from lauescript.makeconfig import run
run(outputName='~/.APDToolkit.ini',
data_path=join(dirname(dirname(dirname(dirname(realpath(__file__))))), join('lauescript', 'data')),
plugin_path=join(dirname(dirname(realpath(__file__))), join('apdtoolkit', 'src')))
pm = pluginmanager.PluginManager(argvs=argvs,
headline=' APDToolkit ',
bottomline=' Exiting APDToolkit ',
headlines=False,
config=config_file,
macro_file=False)
pm.execute()
exit()
