def main(args=None):
"""The CLI main entry point function.
The optional argument args, can be used to
directly supply command line argument like
$ kmos <args>
otherwise args will be taken from STDIN.
"""
from glob import glob
options, args, parser = get_options(args, get_parser=True)
global model, pt, np, cm_model
if not args[0] in usage.keys():
args[0] = match_keys(args[0], usage, parser)
if args[0] == 'benchmark':
from sys import path
path.append(os.path.abspath(os.curdir))
nsteps = 1000000
from time import time
from kmos.run import KMC_Model
model = KMC_Model(print_rates=False, banner=False)
time0 = time()
try:
model.proclist.do_kmc_steps(nsteps)
except: # kmos < 0.3 had no model.proclist.do_kmc_steps
model.do_steps(nsteps)
needed_time = time() - time0
print('Using the [%s] backend.' % model.get_backend())
print('%s steps took %.2f seconds' % (nsteps, needed_time))
print('Or %.2e steps/s' % (1e6 / needed_time))
model.deallocate()
elif args[0] == 'build':
from kmos.utils import build
build(options)
elif args[0] == 'edit':
from kmos import gui
gui.main()
elif args[0] == 'settings-export':
import kmos.types
import kmos.io
from kmos.io import ProcListWriter
if len(args) < 2:
parser.error('XML file and export path expected.')
if len(args) < 3:
out_dir = '%s_%s' % (os.path.splitext(args[1])[0], options.backend)
print('No export path provided. Exporting to %s' % out_dir)
args.append(out_dir)
xml_file = args[1]
export_dir = args[2]
project = kmos.types.Project()
project.import_file(xml_file)
writer = ProcListWriter(project, export_dir)
writer.write_settings()
elif args[0] == 'export':
import kmos.types
import kmos.io
from kmos.utils import build
if len(args) < 2:
parser.error('XML file and export path expected.')
if len(args) < 3:
out_dir = '%s_%s' % (os.path.splitext(args[1])[0], options.backend)
print('No export path provided. Exporting to %s' % out_dir)
args.append(out_dir)
xml_file = args[1]
export_dir = os.path.join(args[2], 'src')
project = kmos.types.Project()
project.import_file(xml_file)
project.shorten_names(max_length=options.variable_length)
kmos.io.export_source(project, export_dir, options=options)
if ((os.name == 'posix'
and os.uname()[0] in ['Linux', 'Darwin'])
or os.name == 'nt') \
and not options.source_only:
os.chdir(export_dir)
build(options)
for out in glob('kmc_*'):
if os.path.exists('../%s' % out):
if options.overwrite:
overwrite = 'y'
else:
overwrite = raw_input(
('Should I overwrite existing %s ?'
'[y/N] ') % out).lower()
if overwrite.startswith('y'):
print('Overwriting {out}'.format(**locals()))
os.remove('../%s' % out)
shutil.move(out, '..')
else:
print('Skipping {out}'.format(**locals()))
else:
shutil.move(out, '..')
elif args[0] == 'settings-export':
import kmos.io
pt = kmos.io.import_file(args[1])
if len(args) < 3:
out_dir = os.path.splitext(args[1])[0]
print('No export path provided. Exporting kmc_settings.py to %s' %
out_dir)
args.append(out_dir)
if not os.path.exists(args[2]):
os.mkdir(args[2])
elif not os.path.isdir(args[2]):
raise UserWarning("Cannot overwrite %s; Exiting;" % args[2])
writer = kmos.io.ProcListWriter(pt, args[2])
writer.write_settings()
elif args[0] == 'help':
if len(args) < 2:
parser.error('Which help do you want?')
if args[1] == 'all':
for command in sorted(usage):
print(usage[command])
elif args[1] in usage:
print('Usage: %s\n' % usage[args[1]])
else:
arg = match_keys(args[1], usage, parser)
print('Usage: %s\n' % usage[arg])
elif args[0] == 'import':
import kmos.io
if not len(args) >= 2:
raise UserWarning('XML file name expected.')
pt = kmos.io.import_xml_file(args[1])
if len(args) == 2:
sh(banner='Note: pt = kmos.io.import_xml(\'%s\')' % args[1])
elif len(
args
) == 3: # if optional 3rd argument is given, store model there and exit
pt.save(args[2])
elif args[0] == 'rebuild':
from time import sleep
print('Will rebuild model from kmc_settings.py in current directory')
print('Please do not interrupt,'
' build process, as you will most likely')
print('loose the current model files.')
sleep(2.)
from sys import path
path.append(os.path.abspath(os.curdir))
from tempfile import mktemp
if not os.path.exists('kmc_model.so') \
and not os.path.exists('kmc_model.pyd'):
raise Exception('No kmc_model.so found.')
if not os.path.exists('kmc_settings.py'):
raise Exception('No kmc_settings.py found.')
from kmos.run import KMC_Model
model = KMC_Model(print_rates=False, banner=False)
tempfile = mktemp()
f = file(tempfile, 'w')
f.write(model.xml())
f.close()
for kmc_model in glob('kmc_model.*'):
os.remove(kmc_model)
os.remove('kmc_settings.py')
main('export %s -b %s .' % (tempfile, options.backend))
os.remove(tempfile)
model.deallocate()
elif args[0] in ['run', 'shell']:
from sys import path
path.append(os.path.abspath(os.curdir))
from kmos.run import KMC_Model
# useful to have in interactive mode
import numpy as np
try:
from matplotlib import pyplot as plt
except:
plt = None
if options.catmap:
import catmap
import catmap.cli.kmc_runner
seed = catmap.cli.kmc_runner.get_seed_from_path('.')
cm_model = catmap.ReactionModel(setup_file='{seed}.mkm'.format(
**locals()))
catmap_message = '\nSide-loaded catmap_model {seed}.mkm into cm_model = ReactionModel(setup_file="{seed}.mkm")'.format(
**locals())
else:
catmap_message = ''
try:
model = KMC_Model(print_rates=False)
except:
print("Warning: could not import kmc_model!"
" Please make sure you are in the right directory")
sh(banner='Note: model = KMC_Model(print_rates=False){catmap_message}'.
format(**locals()))
try:
model.deallocate()
except:
print("Warning: could not deallocate model. Was is allocated?")
elif args[0] == 'version':
from kmos import VERSION
print(VERSION)
elif args[0] == 'view':
from sys import path
path.append(os.path.abspath(os.curdir))
from kmos import view
view.main(steps_per_frame=options.steps_per_frame)
elif args[0] == 'xml':
from sys import path
path.append(os.path.abspath(os.curdir))
from kmos.run import KMC_Model
model = KMC_Model(banner=False, print_rates=False)
print(model.xml())
else:
parser.error('Command "%s" not understood.' % args[0])
def main(args=None):
"""The CLI main entry point function.
The optional arguemnts args, can be used to
directly supply command line argument like
$ kmos <args>
otherwise args will be taken from STDIN.
"""
import optparse
import os
from glob import glob
import kmos
parser = optparse.OptionParser(
'Usage: %prog [help] ('
+ '|'.join(sorted(usage.keys()))
+ ') [options]',
version=kmos.__version__)
parser.add_option('-s', '--source-only',
dest='source_only',
action='store_true',
default=False)
parser.add_option('-p', '--path-to-f2py',
dest='path_to_f2py',
default='f2py')
try:
from numpy.distutils.fcompiler import get_default_fcompiler
from numpy.distutils import log
log.set_verbosity(-1, True)
fcompiler = get_default_fcompiler()
except:
fcompiler = 'gfortran'
parser.add_option('-f', '--fcompiler',
dest='fcompiler',
default=os.environ.get('F2PY_FCOMPILER', fcompiler ))
if args is not None:
options, args = parser.parse_args(args.split())
else:
options, args = parser.parse_args()
if len(args) < 1:
parser.error('Command expected')
if args[0] == 'benchmark':
from sys import path
path.append(os.path.abspath(os.curdir))
nsteps = 1000000
from time import time
from kmos.run import KMC_Model
with KMC_Model(print_rates=False, banner=False) as model:
time0 = time()
model.do_steps(nsteps)
needed_time = time() - time0
print('%s steps took %.2f seconds' % (nsteps, needed_time))
print('Or %.2e steps/s' % (1e6 / needed_time))
elif args[0] == 'build':
from kmos.utils import build
build(options)
elif args[0] == 'edit':
from kmos import gui
gui.main()
elif args[0] == 'export-settings':
import kmos.types
import kmos.io
from kmos.utils import build
import shutil
from kmos.io import ProcListWriter
if len(args) < 2:
parser.error('XML file and export path expected.')
if len(args) < 3:
out_dir = os.path.splitext(args[1])[0]
print('No export path provided. Exporting to %s' % out_dir)
args.append(out_dir)
xml_file = args[1]
export_dir = args[2]
project = kmos.types.Project()
project.import_xml_file(xml_file)
writer = ProcListWriter(project, export_dir)
writer.write_settings()
elif args[0] == 'export':
import kmos.types
import kmos.io
from kmos.utils import build
import shutil
if len(args) < 2:
parser.error('XML file and export path expected.')
if len(args) < 3:
out_dir = os.path.splitext(args[1])[0]
print('No export path provided. Exporting to %s' % out_dir)
args.append(out_dir)
xml_file = args[1]
export_dir = os.path.join(args[2], 'src')
project = kmos.types.Project()
project.import_xml_file(xml_file)
kmos.io.export_source(project, export_dir)
if ((os.name == 'posix'
and os.uname()[0] == 'Linux')
or os.name == 'nt') \
and not options.source_only:
os.chdir(export_dir)
build(options)
for out in glob('kmc_*'):
if os.path.exists('../%s' % out):
overwrite = raw_input(('Should I overwrite existing %s ?'
'[y/N] ') % out).lower()
if overwrite.startswith('y'):
os.remove('../%s' % out)
shutil.move(out, '..')
else:
shutil.move(out, '..')
elif args[0] == 'export-settings':
import kmos.io
pt = kmos.io.import_xml_file(args[1])
if len(args) < 3:
out_dir = os.path.splitext(args[1])[0]
print('No export path provided. Exporting kmc_settings.py to %s'
% out_dir)
args.append(out_dir)
if not os.path.exists(args[2]):
os.mkdir(args[2])
elif not os.path.isdir(args[2]):
raise UserWarning("Cannot overwrite %s; Exiting;" % args[2])
writer = kmos.io.ProcListWriter(pt, args[2])
writer.write_settings()
elif args[0] == 'export-view':
out_dir = os.path.splitext(args[1])[0]
print('No export path provided. Exporting to %s' % out_dir)
args.append(out_dir)
os.system('kmos-export-program %s %s' % (args[1], args[2]))
os.chdir(out_dir)
main('view')
elif args[0] == 'all':
print('Interpreting: all -> help all\n\n')
main('help all')
elif args[0] == 'help':
if len(args) < 2:
parser.error('Which help do you want?')
if args[1] == 'all':
for command in sorted(usage):
print(usage[command])
elif args[1] in usage:
print('Usage: %s\n' % usage[args[1]])
else:
raise Exception('Command "%s" not known or not documented.'
% args[1])
elif args[0] == 'import':
import kmos.io
if not len(args) >= 2:
raise UserWarning('XML file name expected.')
global pt
pt = kmos.io.import_xml_file(args[1])
sh(banner='Note: pt = kmos.io.import_xml(\'%s\')' % args[1])
elif args[0] == 'rebuild':
from sys import path
path.append(os.path.abspath(os.curdir))
from tempfile import mktemp
if not os.path.exists('kmc_model.so') \
and not os.path.exists('kmc_model.pyd'):
raise Exception('No kmc_model.so found.')
if not os.path.exists('kmc_settings.py'):
raise Exception('No kmc_settings.py found.')
from kmos.run import KMC_Model
with KMC_Model(print_rates=False, banner=False) as model:
tempfile = mktemp()
f = file(tempfile, 'w')
f.write(model.xml())
f.close()
for kmc_model in glob('kmc_model.*'):
os.remove(kmc_model)
os.remove('kmc_settings.py')
main('export %s .' % tempfile)
os.remove(tempfile)
elif args[0] == 'run':
from sys import path
path.append(os.path.abspath(os.curdir))
from kmos.run import KMC_Model
with KMC_Model(print_rates=False) as model:
global model
sh(banner='Note: model = KMC_Model(print_rates=False)')
elif args[0] == 'view':
from sys import path
path.append(os.path.abspath(os.curdir))
from kmos import view
view.main()
else:
parser.error('Command "%s" not understood.' % args[0])
def main(args=None):
"""The CLI main entry point function.
The optional argument args, can be used to
directly supply command line argument like
$ kmos <args>
otherwise args will be taken from STDIN.
"""
from glob import glob
options, args, parser = get_options(args, get_parser=True)
if not args[0] in usage.keys():
args[0] = match_keys(args[0], usage, parser)
if args[0] == 'benchmark':
from sys import path
path.append(os.path.abspath(os.curdir))
nsteps = 1000000
from time import time
from kmos.run import KMC_Model
model = KMC_Model(print_rates=False, banner=False)
time0 = time()
try:
model.proclist.do_kmc_steps(nsteps)
except: # kmos < 0.3 had no model.proclist.do_kmc_steps
model.do_steps(nsteps)
needed_time = time() - time0
print('Using the [%s] backend.' % model.get_backend())
print('%s steps took %.2f seconds' % (nsteps, needed_time))
print('Or %.2e steps/s' % (1e6 / needed_time))
model.deallocate()
elif args[0] == 'build':
from kmos.utils import build
build(options)
elif args[0] == 'edit':
from kmos import gui
gui.main()
elif args[0] == 'settings-export':
import kmos.types
import kmos.io
from kmos.io import ProcListWriter
if len(args) < 2:
parser.error('XML file and export path expected.')
if len(args) < 3:
out_dir = os.path.splitext(args[1])[0]
print('No export path provided. Exporting to %s' % out_dir)
args.append(out_dir)
xml_file = args[1]
export_dir = args[2]
project = kmos.types.Project()
project.import_xml_file(xml_file)
writer = ProcListWriter(project, export_dir)
writer.write_settings()
elif args[0] == 'export':
import kmos.types
import kmos.io
from kmos.utils import build
if len(args) < 2:
parser.error('XML file and export path expected.')
if len(args) < 3:
out_dir = '%s_%s' % (os.path.splitext(args[1])[0], options.backend)
print('No export path provided. Exporting to %s' % out_dir)
args.append(out_dir)
xml_file = args[1]
export_dir = os.path.join(args[2], 'src')
project = kmos.types.Project()
project.import_xml_file(xml_file)
kmos.io.export_source(project,
export_dir,
code_generator=options.backend)
if ((os.name == 'posix'
and os.uname()[0] == 'Linux')
or os.name == 'nt') \
and not options.source_only:
os.chdir(export_dir)
build(options)
for out in glob('kmc_*'):
if os.path.exists('../%s' % out):
overwrite = raw_input(('Should I overwrite existing %s ?'
'[y/N] ') % out).lower()
if overwrite.startswith('y'):
os.remove('../%s' % out)
shutil.move(out, '..')
else:
shutil.move(out, '..')
elif args[0] == 'settings-export':
import kmos.io
pt = kmos.io.import_xml_file(args[1])
if len(args) < 3:
out_dir = os.path.splitext(args[1])[0]
print('No export path provided. Exporting kmc_settings.py to %s'
% out_dir)
args.append(out_dir)
if not os.path.exists(args[2]):
os.mkdir(args[2])
elif not os.path.isdir(args[2]):
raise UserWarning("Cannot overwrite %s; Exiting;" % args[2])
writer = kmos.io.ProcListWriter(pt, args[2])
writer.write_settings()
elif args[0] == 'help':
if len(args) < 2:
parser.error('Which help do you want?')
if args[1] == 'all':
for command in sorted(usage):
print(usage[command])
elif args[1] in usage:
print('Usage: %s\n' % usage[args[1]])
else:
arg = match_keys(args[1], usage, parser)
print('Usage: %s\n' % usage[arg])
elif args[0] == 'import':
import kmos.io
if not len(args) >= 2:
raise UserWarning('XML file name expected.')
global pt
pt = kmos.io.import_xml_file(args[1])
sh(banner='Note: pt = kmos.io.import_xml(\'%s\')' % args[1])
elif args[0] == 'rebuild':
from time import sleep
print('Will rebuild model from kmc_settings.py in current directory')
print('Please do not interrupt,'
' build process, as you will most likely')
print('loose the current model files.')
sleep(2.)
from sys import path
path.append(os.path.abspath(os.curdir))
from tempfile import mktemp
if not os.path.exists('kmc_model.so') \
and not os.path.exists('kmc_model.pyd'):
raise Exception('No kmc_model.so found.')
if not os.path.exists('kmc_settings.py'):
raise Exception('No kmc_settings.py found.')
from kmos.run import KMC_Model
model = KMC_Model(print_rates=False, banner=False)
tempfile = mktemp()
f = file(tempfile, 'w')
f.write(model.xml())
f.close()
for kmc_model in glob('kmc_model.*'):
os.remove(kmc_model)
os.remove('kmc_settings.py')
main('export %s -b %s .' % (tempfile, options.backend))
os.remove(tempfile)
model.deallocate()
elif args[0] in ['run', 'shell']:
from sys import path
path.append(os.path.abspath(os.curdir))
from kmos.run import KMC_Model
# useful to have in interactive mode
import numpy as np
try:
from matplotlib import pyplot as plt
except:
plt = None
try:
model = KMC_Model(print_rates=False)
except:
print("Warning: could not import kmc_model!"
" Please make sure you are in the right directory")
global model, np
sh(banner='Note: model = KMC_Model(print_rates=False)')
try:
model.deallocate()
except:
print("Warning: could not deallocate model. Was is allocated?")
elif args[0] == 'version':
from kmos import VERSION
print(VERSION)
elif args[0] == 'view':
from sys import path
path.append(os.path.abspath(os.curdir))
from kmos import view
view.main(steps_per_frame=options.steps_per_frame)
elif args[0] == 'xml':
from sys import path
path.append(os.path.abspath(os.curdir))
from kmos.run import KMC_Model
model = KMC_Model(banner=False, print_rates=False)
print(model.xml())
else:
parser.error('Command "%s" not understood.' % args[0])
def main(args=None):
"""The CLI main entry point function.
The optional arguemnts args, can be used to
directly supply command line argument like
$ kmos <args>
otherwise args will be taken from STDIN.
"""
import optparse
import os
from glob import glob
import kmos
parser = optparse.OptionParser('Usage: %prog [help] (' +
'|'.join(sorted(usage.keys())) +
') [options]',
version=kmos.__version__)
parser.add_option('-s',
'--source-only',
dest='source_only',
action='store_true',
default=False)
parser.add_option('-p',
'--path-to-f2py',
dest='path_to_f2py',
default='f2py')
try:
from numpy.distutils.fcompiler import get_default_fcompiler
from numpy.distutils import log
log.set_verbosity(-1, True)
fcompiler = get_default_fcompiler()
except:
fcompiler = 'gfortran'
parser.add_option('-f',
'--fcompiler',
dest='fcompiler',
default=os.environ.get('F2PY_FCOMPILER', fcompiler))
if args is not None:
options, args = parser.parse_args(args.split())
else:
options, args = parser.parse_args()
if len(args) < 1:
parser.error('Command expected')
if args[0] == 'benchmark':
from sys import path
path.append(os.path.abspath(os.curdir))
nsteps = 1000000
from time import time
from kmos.run import KMC_Model
with KMC_Model(print_rates=False, banner=False) as model:
time0 = time()
model.do_steps(nsteps)
needed_time = time() - time0
print('%s steps took %.2f seconds' % (nsteps, needed_time))
print('Or %.2e steps/s' % (1e6 / needed_time))
elif args[0] == 'build':
from kmos.utils import build
build(options)
elif args[0] == 'edit':
from kmos import gui
gui.main()
elif args[0] == 'export-settings':
import kmos.types
import kmos.io
from kmos.utils import build
import shutil
from kmos.io import ProcListWriter
if len(args) < 2:
parser.error('XML file and export path expected.')
if len(args) < 3:
out_dir = os.path.splitext(args[1])[0]
print('No export path provided. Exporting to %s' % out_dir)
args.append(out_dir)
xml_file = args[1]
export_dir = args[2]
project = kmos.types.Project()
project.import_xml_file(xml_file)
writer = ProcListWriter(project, export_dir)
writer.write_settings()
elif args[0] == 'export':
import kmos.types
import kmos.io
from kmos.utils import build
import shutil
if len(args) < 2:
parser.error('XML file and export path expected.')
if len(args) < 3:
out_dir = os.path.splitext(args[1])[0]
print('No export path provided. Exporting to %s' % out_dir)
args.append(out_dir)
xml_file = args[1]
export_dir = os.path.join(args[2], 'src')
project = kmos.types.Project()
project.import_xml_file(xml_file)
kmos.io.export_source(project, export_dir)
if ((os.name == 'posix'
and os.uname()[0] == 'Linux')
or os.name == 'nt') \
and not options.source_only:
os.chdir(export_dir)
build(options)
for out in glob('kmc_*'):
if os.path.exists('../%s' % out):
overwrite = raw_input(('Should I overwrite existing %s ?'
'[y/N] ') % out).lower()
if overwrite.startswith('y'):
os.remove('../%s' % out)
shutil.move(out, '..')
else:
shutil.move(out, '..')
elif args[0] == 'export-settings':
import kmos.io
pt = kmos.io.import_xml_file(args[1])
if len(args) < 3:
out_dir = os.path.splitext(args[1])[0]
print('No export path provided. Exporting kmc_settings.py to %s' %
out_dir)
args.append(out_dir)
if not os.path.exists(args[2]):
os.mkdir(args[2])
elif not os.path.isdir(args[2]):
raise UserWarning("Cannot overwrite %s; Exiting;" % args[2])
writer = kmos.io.ProcListWriter(pt, args[2])
writer.write_settings()
elif args[0] == 'export-view':
out_dir = os.path.splitext(args[1])[0]
print('No export path provided. Exporting to %s' % out_dir)
args.append(out_dir)
os.system('kmos-export-program %s %s' % (args[1], args[2]))
os.chdir(out_dir)
main('view')
elif args[0] == 'all':
print('Interpreting: all -> help all\n\n')
main('help all')
elif args[0] == 'help':
if len(args) < 2:
parser.error('Which help do you want?')
if args[1] == 'all':
for command in sorted(usage):
print(usage[command])
elif args[1] in usage:
print('Usage: %s\n' % usage[args[1]])
else:
raise Exception('Command "%s" not known or not documented.' %
args[1])
elif args[0] == 'import':
import kmos.io
if not len(args) >= 2:
raise UserWarning('XML file name expected.')
global pt
pt = kmos.io.import_xml_file(args[1])
sh(banner='Note: pt = kmos.io.import_xml(\'%s\')' % args[1])
elif args[0] == 'rebuild':
from sys import path
path.append(os.path.abspath(os.curdir))
from tempfile import mktemp
if not os.path.exists('kmc_model.so') \
and not os.path.exists('kmc_model.pyd'):
raise Exception('No kmc_model.so found.')
if not os.path.exists('kmc_settings.py'):
raise Exception('No kmc_settings.py found.')
from kmos.run import KMC_Model
with KMC_Model(print_rates=False, banner=False) as model:
tempfile = mktemp()
f = file(tempfile, 'w')
f.write(model.xml())
f.close()
for kmc_model in glob('kmc_model.*'):
os.remove(kmc_model)
os.remove('kmc_settings.py')
main('export %s .' % tempfile)
os.remove(tempfile)
elif args[0] == 'run':
from sys import path
path.append(os.path.abspath(os.curdir))
from kmos.run import KMC_Model
with KMC_Model(print_rates=False) as model:
global model
sh(banner='Note: model = KMC_Model(print_rates=False)')
elif args[0] == 'view':
from sys import path
path.append(os.path.abspath(os.curdir))
from kmos import view
view.main()
else:
parser.error('Command "%s" not understood.' % args[0])