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def count(self, param, must=[APIKEY, START_TIME, END_TIME]):
'''统计短信条数
参数名 类型 是否必须 描述 示例
apikey String 是 用户唯一标识 9b11127a9701975c734b8aee81ee3526
start_time String 是 短信发送开始时间 2013-08-11 00:00:00
end_time String 是 短信发送结束时间 2013-08-12 00:00:00
mobile String 否 需要查询的手... |
def tpl_send(self, param, must=[APIKEY, MOBILE, TPL_ID, TPL_VALUE]):
'''指定模板发送 only v1 deprecated
参数名 类型 是否必须 描述 示例
apikey String 是 用户唯一标识 9b11127a9701975c734b8aee81ee3526
mobile String 是 接收的手机号 15205201314
tpl_id Long 是 模板id 1
tpl_value String 是 变量名和变量值对。请先对您的变量... |
def tpl_single_send(self, param, must=[APIKEY, MOBILE, TPL_ID, TPL_VALUE]):
'''指定模板单发 only v2 deprecated
参数名 类型 是否必须 描述 示例
apikey String 是 用户唯一标识 9b11127a9701975c734b8aee81ee3526
mobile String 是
接收的手机号（针对国际短信，mobile参数会自动格式化到E.164格式，可能会造成传入mobile参数跟后续的状态报告中的号码不一致。E.164格式说明，参见：
... |
def get_package(self, param=None, must=[APIKEY]):
'''查询流量包
参数名 类型 是否必须 描述 示例
apikey String 是 用户唯一标识 9b11127a9701975c734b8aee81ee3526
carrier String 否 运营商ID 传入该参数则获取指定运营商的流量包， 否则获取所有运营商的流量包 移动：10086 联通：10010 电信：10000
Args:
param:
Results:
... |
def recharge(self, param, must=[APIKEY, MOBILE, SN]):
'''充值流量
参数名 类型 是否必须 描述 示例
apikey String 是 用户唯一标识 9b11127a9701975c734b8aee81ee3526
mobile String 是 接收的手机号（仅支持大陆号码） 15205201314
sn String 是 流量包的唯一ID 点击查看 1008601
callback_url String 否 本条流量充值的状态报告推送地址 http://your... |
def pull_status(self, param=None, must=[APIKEY]):
'''获取状态报告
参数名 是否必须 描述 示例
apikey 是 用户唯一标识 9b11127a9701975c734b8aee81ee3526
page_size 否 每页个数，最大100个，默认20个 20
Args:
param:
Results:
Result
'''
param = {} if param is N... |
def run_command(*args, raise_exception=True, cwd=None):
'''
Runs a command, piping all output to the DMP log.
The args should be separate arguments so paths and subcommands can have spaces in them:
ret = run_command('ls', '-l', '/Users/me/My Documents')
print(ret.code)
print(ret.std... |
def get_template(self, template, def_name=None):
'''Retrieve a *Django* API template object for the given template name, using the app_path and template_subdir
settings in this object. This method still uses the corresponding Mako template and engine, but it
gives a Django API wrapper aro... |
def get_mako_template(self, template, force=False):
'''Retrieve the real *Mako* template object for the given template name without any wrapper,
using the app_path and template_subdir settings in this object.
This method is an alternative to get_template(). Use it when you need the actua... |
def app_resolver(app_name=None, pattern_kwargs=None, name=None):
'''
Registers the given app_name with DMP and adds convention-based
url patterns for it.
This function is meant to be called in a project's urls.py.
'''
urlconf = URLConf(app_name, pattern_kwargs)
resolver = re_path(
'... |
def dmp_paths_for_app(app_name, pattern_kwargs=None, pretty_app_name=None):
'''Utility function that creates the default patterns for an app'''
dmp = apps.get_app_config('django_mako_plus')
# Because these patterns are subpatterns within the app's resolver,
# we don't include the /app/ in the pattern --... |
def dmp_path(regex, kwargs=None, name=None, app_name=None):
'''
Creates a DMP-style, convention-based pattern that resolves
to various view functions based on the 'dmp_page' value.
The following should exist as 1) regex named groups or
2) items in the kwargs dict:
dmp_app Should res... |
def resolve(self, path):
'''
Different from Django, this method matches by /app/page/ convention
using its pattern. The pattern should create keyword arguments for
dmp_app, dmp_page.
'''
match = super().resolve(path)
if match:
try:
rou... |
def alternate_syntax(local, using, **kwargs):
'''
A Mako filter that renders a block of text using a different template engine
than Mako. The named template engine must be listed in settings.TEMPLATES.
The template context variables are available in the embedded template.
Specify kwargs to add add... |
def get_view_function(module_name, function_name, fallback_app=None, fallback_template=None, verify_decorator=True):
'''
Retrieves a view function from the cache, finding it if the first time.
Raises ViewDoesNotExist if not found. This is called by resolver.py.
'''
# first check the cache (without ... |
def find_view_function(module_name, function_name, fallback_app=None, fallback_template=None, verify_decorator=True):
'''
Finds a view function, class-based view, or template view.
Raises ViewDoesNotExist if not found.
'''
dmp = apps.get_app_config('django_mako_plus')
# I'm first calling find_s... |
def create_view_for_template(app_name, template_name):
'''
Creates a view function for templates (used whe a view.py file doesn't exist but the .html does)
Raises TemplateDoesNotExist if the template doesn't exist.
'''
# ensure the template exists
apps.get_app_config('django_mako_plus').engine.g... |
def iter_related(self):
'''
Generator function that iterates this object's related providers,
which includes this provider.
'''
for tpl in self.provider_run.templates:
yield tpl.providers[self.index] |
def get_cache_item(self):
'''Gets the cached item. Raises AttributeError if it hasn't been set.'''
if settings.DEBUG:
raise AttributeError('Caching disabled in DEBUG mode')
return getattr(self.template, self.options['template_cache_key']) |
def flatten(*args):
'''Generator that recursively flattens embedded lists, tuples, etc.'''
for arg in args:
if isinstance(arg, collections.Iterable) and not isinstance(arg, (str, bytes)):
yield from flatten(*arg)
else:
yield arg |
def crc32(filename):
'''
Calculates the CRC checksum for a file.
Using CRC32 because security isn't the issue and don't need perfect noncollisions.
We just need to know if a file has changed.
On my machine, crc32 was 20 times faster than any hashlib algorithm,
including blake and md5 algorithms... |
def compile_mako_files(self, app_config):
'''Compiles the Mako templates within the apps of this system'''
# go through the files in the templates, scripts, and styles directories
for subdir_name in self.SEARCH_DIRS:
subdir = subdir_name.format(
app_path=app_config.pa... |
def from_string(self, template_code):
'''
Compiles a template from the given string.
This is one of the required methods of Django template engines.
'''
dmp = apps.get_app_config('django_mako_plus')
mako_template = Template(template_code, imports=dmp.template_imports, inp... |
def get_template(self, template_name):
'''
Retrieves a template object from the pattern "app_name/template.html".
This is one of the required methods of Django template engines.
Because DMP templates are always app-specific (Django only searches
a global set of directories), the... |
def get_template_loader(self, app, subdir='templates', create=False):
'''
Returns a template loader object for the given app name in the given subdir.
For example, get_template_loader('homepage', 'styles') will return
a loader for the styles/ directory in the homepage app.
The a... |
def get_template_loader_for_path(self, path, use_cache=True):
'''
Returns a template loader object for the given directory path.
For example, get_template_loader('/var/mytemplates/') will return
a loader for that specific directory.
Normally, you should not have to call this met... |
def _register_converter(cls, conv_func, conv_type):
'''Triggered by the @converter_function decorator'''
cls.converters.append(ConverterFunctionInfo(conv_func, conv_type, len(cls.converters)))
cls._sort_converters() |
def _sort_converters(cls, app_ready=False):
'''Sorts the converter functions'''
# app_ready is True when called from DMP's AppConfig.ready()
# we can't sort before then because models aren't ready
cls._sorting_enabled = cls._sorting_enabled or app_ready
if cls._sorting_enabled:
... |
def convert_parameters(self, request, *args, **kwargs):
'''
Iterates the urlparams and converts them according to the
type hints in the current view function. This is the primary
function of the class.
'''
args = list(args)
urlparam_i = 0
parameters = se... |
def convert_value(self, value, parameter, request):
'''
Converts a parameter value in the view function call.
value: value from request.dmp.urlparams to convert
The value will always be a string, even if empty '' (never None).
parameter: an instanc... |
def create_entry_file(self, filename, script_map, enapps):
'''Creates an entry file for the given script map'''
if len(script_map) == 0:
return
# create the entry file
template = MakoTemplate('''
<%! import os %>
// dynamic imports are within functions so they don't happen u... |
def generate_script_map(self, config):
'''
Maps templates in this app to their scripts. This function deep searches
app/templates/* for the templates of this app. Returns the following
dictionary with absolute paths:
{
( 'appname', 'template1' ): [ '/abs/path/to/sc... |
def template_scripts(self, config, template_name):
'''
Returns a list of scripts used by the given template object AND its ancestors.
This runs a ProviderRun on the given template (as if it were being displayed).
This allows the WEBPACK_PROVIDERS to provide the JS files to us.
'... |
def get_response(self, request, *args, **kwargs):
'''Returns the redirect response for this exception.'''
# normal process
response = HttpResponseRedirect(self.redirect_to)
response[REDIRECT_HEADER_KEY] = self.redirect_to
return response |
def get_response(self, request):
'''Returns the redirect response for this exception.'''
# the redirect key is already placed in the response by HttpResponseJavascriptRedirect
return HttpResponseJavascriptRedirect(self.redirect_to, *self.args, **self.kwargs) |
def get_template_loader(app, subdir='templates'):
'''
Convenience method that calls get_template_loader() on the DMP
template engine instance.
'''
dmp = apps.get_app_config('django_mako_plus')
return dmp.engine.get_template_loader(app, subdir, create=True) |
def render_template(request, app, template_name, context=None, subdir="templates", def_name=None):
'''
Convenience method that directly renders a template, given the app and template names.
'''
return get_template(app, template_name, subdir).render(context, request, def_name) |
def get_template_loader_for_path(path, use_cache=True):
'''
Convenience method that calls get_template_loader_for_path() on the DMP
template engine instance.
'''
dmp = apps.get_app_config('django_mako_plus')
return dmp.engine.get_template_loader_for_path(path, use_cache) |
def get_template_for_path(path, use_cache=True):
'''
Convenience method that retrieves a template given a direct path to it.
'''
dmp = apps.get_app_config('django_mako_plus')
app_path, template_name = os.path.split(path)
return dmp.engine.get_template_loader_for_path(app_path, use_cache=use_cach... |
def render_template_for_path(request, path, context=None, use_cache=True, def_name=None):
'''
Convenience method that directly renders a template, given a direct path to it.
'''
return get_template_for_path(path, use_cache).render(context, request, def_name) |
def qualified_name(obj):
'''Returns the fully-qualified name of the given object'''
if not hasattr(obj, '__module__'):
obj = obj.__class__
module = obj.__module__
if module is None or module == str.__class__.__module__:
return obj.__qualname__
return '{}.{}'.format(module, obj.__qual... |
def import_qualified(name):
'''
Imports a fully-qualified name from a module:
cls = import_qualified('homepage.views.index.MyForm')
Raises an ImportError if it can't be ipmorted.
'''
parts = name.rsplit('.', 1)
if len(parts) != 2:
raise ImportError('Invalid fully-qualified name... |
def links(tself, group=None):
'''Returns the HTML for the given provider group (or all groups if None)'''
pr = ProviderRun(tself, group)
pr.run()
return mark_safe(pr.getvalue()) |
def template_links(request, app, template_name, context=None, group=None, force=True):
'''
Returns the HTML for the given provider group, using an app and template name.
This method should not normally be used (use links() instead). The use of
this method is when provider need to be called from regular... |
def template_obj_links(request, template_obj, context=None, group=None):
'''
Returns the HTML for the given provider group, using a template object.
This method should not normally be used (use links() instead). The use of
this method is when provider need to be called from regular python code instead
... |
def build_default_link(self):
'''Called when 'link' is not defined in the settings'''
attrs = {}
attrs["rel"] = "stylesheet"
attrs["href"] ="{}?{:x}".format(
os.path.join(settings.STATIC_URL, self.filepath).replace(os.path.sep, '/'),
self.version_id,
)
... |
def build_default_filepath(self):
'''Called when 'filepath' is not defined in the settings'''
return os.path.join(
self.app_config.name,
'scripts',
self.template_relpath + '.js',
) |
def django_include(context, template_name, **kwargs):
'''
Mako tag to include a Django template withing the current DMP (Mako) template.
Since this is a Django template, it is search for using the Django search
algorithm (instead of the DMP app-based concept).
See https://docs.djangoproject.com/en/2... |
def _toggle_autoescape(context, escape_on=True):
'''
Internal method to toggle autoescaping on or off. This function
needs access to the caller, so the calling method must be
decorated with @supports_caller.
'''
previous = is_autoescape(context)
setattr(context.caller_stack, AUTOESCAPE_KEY, ... |
def pretty_relpath(path, start):
'''
Returns a relative path, but only if it doesn't start with a non-pretty parent directory ".."
'''
relpath = os.path.relpath(path, start)
if relpath.startswith('..'):
return path
return relpath |
def is_decorated(cls, f):
'''Returns True if the given function is decorated with @view_function'''
real_func = inspect.unwrap(f)
return real_func in cls.DECORATED_FUNCTIONS |
def initialize_providers(cls):
'''Initializes the providers (called from dmp app ready())'''
dmp = apps.get_app_config('django_mako_plus')
# regular content providers
cls.CONTENT_PROVIDERS = []
for provider_settings in dmp.options[cls.SETTINGS_KEY]:
# import the class... |
def run(self):
'''Performs the run through the templates and their providers'''
for tpl in self.templates:
for provider in tpl.providers:
provider.provide() |
def write(self, content):
'''Provider instances use this to write to the buffer'''
self.buffer.write(content)
if settings.DEBUG:
self.buffer.write('\n') |
def prepare_sort_key(self):
'''
Triggered by view_function._sort_converters when our sort key should be created.
This can't be called in the constructor because Django models might not be ready yet.
'''
if isinstance(self.convert_type, str):
try:
app_n... |
def build_command(self):
'''Returns the command to run, as a list (see subprocess module)'''
# if defined in settings, run the function or return the string
if self.options['command']:
return self.options['command'](self) if callable(self.options['command']) else self.options['comman... |
def needs_compile(self):
'''Returns True if self.sourcepath is newer than self.targetpath'''
try:
source_mtime = os.stat(self.sourcepath).st_mtime
except OSError: # no source for this template, so just return
return False
try:
target_mtime = os.stat(s... |
def template_inheritance(obj):
'''
Generator that iterates the template and its ancestors.
The order is from most specialized (furthest descendant) to
most general (furthest ancestor).
obj can be either:
1. Mako Template object
2. Mako `self` object (available within a rendering tem... |
def get_template_debug(template_name, error):
'''
This structure is what Django wants when errors occur in templates.
It gives the user a nice stack trace in the error page during debug.
'''
# This is taken from mako.exceptions.html_error_template(), which has an issue
# in Py3 where files get l... |
def name(self):
'''Returns the name of this template (if created from a file) or "string" if not'''
if self.mako_template.filename:
return os.path.basename(self.mako_template.filename)
return 'string' |
def render(self, context=None, request=None, def_name=None):
'''
Renders a template using the Mako system. This method signature conforms to
the Django template API, which specifies that template.render() returns a string.
@context A dictionary of name=value variables to send to t... |
def render_to_response(self, context=None, request=None, def_name=None, content_type=None, status=None, charset=None):
'''
Renders the template and returns an HttpRequest object containing its content.
This method returns a django.http.Http404 exception if the template is not found.
If ... |
def get_action_by_dest(self, parser, dest):
'''Retrieves the given parser action object by its dest= attribute'''
for action in parser._actions:
if action.dest == dest:
return action
return None |
def execute(self, *args, **options):
'''Placing this in execute because then subclass handle() don't have to call super'''
if options['verbose']:
options['verbosity'] = 3
if options['quiet']:
options['verbosity'] = 0
self.verbosity = options.get('verbosity', 1)
... |
def message(self, msg='', level=1, tab=0):
'''Print a message to the console'''
if self.verbosity >= level:
self.stdout.write('{}{}'.format(' ' * tab, msg)) |
def b58enc(uid):
'''Encodes a UID to an 11-length string, encoded using base58 url-safe alphabet'''
# note: i tested a buffer array too, but string concat was 2x faster
if not isinstance(uid, int):
raise ValueError('Invalid integer: {}'.format(uid))
if uid == 0:
return BASE58CHARS[0]
... |
def b58dec(enc_uid):
'''Decodes a UID from base58, url-safe alphabet back to int.'''
if isinstance(enc_uid, str):
pass
elif isinstance(enc_uid, bytes):
enc_uid = enc_uid.decode('utf8')
else:
raise ValueError('Cannot decode this type: {}'.format(enc_uid))
uid = 0
try:
... |
def minify(text, minifier):
'''Minifies the source text (if needed)'''
# there really isn't a good way to know if a file is already minified.
# our heuristic is if source is more than 50 bytes greater of dest OR
# if a hard return is found in the first 50 chars, we assume it is not minified.
minifie... |
def match(self, fname, flevel, ftype):
'''Returns the result score if the file matches this rule'''
# if filetype is the same
# and level isn't set or level is the same
# and pattern matche the filename
if self.filetype == ftype and (self.level is None or self.level == flevel) an... |
def create_rules(self):
'''Adds rules for the command line options'''
dmp = apps.get_app_config('django_mako_plus')
# the default
rules = [
# files are included by default
Rule('*', level=None, filetype=TYPE_FILE, score=1),
... |
def copy_dir(self, source, dest, level=0):
'''Copies the static files from one directory to another. If this command is run, we assume the user wants to overwrite any existing files.'''
encoding = settings.DEFAULT_CHARSET or 'utf8'
msglevel = 2 if level == 0 else 3
self.message('Directo... |
def dmp_include(context, template_name, def_name=None, **kwargs):
'''
Includes a DMP (Mako) template into a normal django template.
context: automatically provided
template_name: specified as "app/template"
def_name: optional block to render within the template
Example:
{... |
def render(self, template, context=None, def_name=None, subdir='templates', content_type=None, status=None, charset=None):
'''App-specific render function that renders templates in the *current app*, attached to the request for convenience'''
template_adapter = self.get_template_loader(subdir).get_templ... |
def render_to_string(self, template, context=None, def_name=None, subdir='templates'):
'''App-specific render function that renders templates in the *current app*, attached to the request for convenience'''
template_adapter = self.get_template_loader(subdir).get_template(template)
return getattr... |
def get_template_loader(self, subdir='templates'):
'''App-specific function to get the current app's template loader'''
if self.request is None:
raise ValueError("this method can only be called after the view middleware is run. Check that `django_mako_plus.middleware` is in MIDDLEWARE.")
... |
def ready(self):
'''Called by Django when the app is ready for use.'''
# set up the options
self.options = {}
self.options.update(DEFAULT_OPTIONS)
for template_engine in settings.TEMPLATES:
if template_engine.get('BACKEND', '').startswith('django_mako_plus'):
... |
def register_app(self, app=None):
'''
Registers an app as a "DMP-enabled" app. Normally, DMP does this
automatically when included in urls.py.
If app is None, the DEFAULT_APP is registered.
'''
app = app or self.options['DEFAULT_APP']
if not app:
rai... |
def is_registered_app(self, app):
'''Returns true if the given app/app name is registered with DMP'''
if app is None:
return False
if isinstance(app, AppConfig):
app = app.name
return app in self.registered_apps |
def get(self, idx, default=''):
'''Returns the element at idx, or default if idx is beyond the length of the list'''
# if the index is beyond the length of the list, return ''
if isinstance(idx, int) and (idx >= len(self) or idx < -1 * len(self)):
return default
# else do the... |
def convert_int(value, parameter):
'''
Converts to int or float:
'', '-', None convert to parameter default
Anything else uses int() or float() constructor
'''
value = _check_default(value, parameter, ( '', '-', None ))
if value is None or isinstance(value, int):
return value... |
def convert_float(value, parameter):
'''
Converts to int or float:
'', '-', None convert to parameter default
Anything else uses int() or float() constructor
'''
value = _check_default(value, parameter, ( '', '-', None ))
if value is None or isinstance(value, float):
return v... |
def convert_decimal(value, parameter):
'''
Converts to decimal.Decimal:
'', '-', None convert to parameter default
Anything else uses Decimal constructor
'''
value = _check_default(value, parameter, ( '', '-', None ))
if value is None or isinstance(value, decimal.Decimal):
re... |
def convert_boolean(value, parameter, default=False):
'''
Converts to boolean (only the first char of the value is used):
'', '-', None convert to parameter default
'f', 'F', '0', False always convert to False
Anything else converts to True.
'''
value = _check_default(value, para... |
def convert_datetime(value, parameter):
'''
Converts to datetime.datetime:
'', '-', None convert to parameter default
The first matching format in settings.DATETIME_INPUT_FORMATS converts to datetime
'''
value = _check_default(value, parameter, ( '', '-', None ))
if value is None or ... |
def convert_date(value, parameter):
'''
Converts to datetime.date:
'', '-', None convert to parameter default
The first matching format in settings.DATE_INPUT_FORMATS converts to datetime
'''
value = _check_default(value, parameter, ( '', '-', None ))
if value is None or isinstance(v... |
def convert_id_to_model(value, parameter):
'''
Converts to a Model object.
'', '-', '0', None convert to parameter default
Anything else is assumed an object id and sent to `.get(id=value)`.
'''
value = _check_default(value, parameter, ( '', '-', '0', None ))
if isinstance(value, (in... |
def _check_default(value, parameter, default_chars):
'''Returns the default if the value is "empty"'''
# not using a set here because it fails when value is unhashable
if value in default_chars:
if parameter.default is inspect.Parameter.empty:
raise ValueError('Value was empty, but no de... |
def parameter_converter(*convert_types):
'''
Decorator that denotes a function as a url parameter converter.
'''
def inner(func):
for ct in convert_types:
ParameterConverter._register_converter(func, ct)
return func
return inner |
def protocol(handler, cfg):
"""
Run all the stages in protocol
Parameters
----------
handler : SystemHandler
Container of initial conditions of simulation
cfg : dict
Imported YAML file.
"""
# Stages
if 'stages' not in cfg:
raise ValueError('Protocol must inc... |
def run(self):
"""
Launch MD simulation, which may consist of:
1. Optional minimization
2. Actual MD simulation, with n steps.
This method also handles reporters.
Returns
-------
positions, velocities : unit.Quantity([natoms, 3])
Position, ve... |
def minimize(self, tolerance=None, max_iterations=None):
"""
Minimize energy of the system until meeting `tolerance` or
performing `max_iterations`.
"""
if tolerance is None:
tolerance = self.minimization_tolerance
if max_iterations is None:
max_it... |
def simulate(self, steps=None):
"""
Advance simulation n steps
"""
if steps is None:
steps = self.steps
self.simulation.step(steps) |
def restraint_force(self, indices=None, strength=5.0):
"""
Force that restrains atoms to fix their positions, while allowing
tiny movement to resolve severe clashes and so on.
Returns
-------
force : simtk.openmm.CustomExternalForce
A custom force to restrain... |
def distance_restraint_force(self, atoms, distances, strengths):
"""
Parameters
----------
atoms : tuple of tuple of int or str
Pair of atom indices to be restrained, with shape (n, 2),
like ((a1, a2), (a3, a4)). Items can be str compatible with MDTraj DSL.
... |
def subset(self, selector):
"""
Returns a list of atom indices corresponding to a MDTraj DSL
query. Also will accept list of numbers, which will be coerced
to int and returned.
"""
if isinstance(selector, (list, tuple)):
return map(int, selector)
selec... |
def handle_exceptions(self, verbose=True):
"""
Handle Ctrl+C and accidental exceptions and attempt to save
the current state of the simulation
"""
try:
yield
except (KeyboardInterrupt, Exception) as ex:
if not self.attempt_rescue:
r... |
def backup_simulation(self):
"""
Creates an emergency report run, .state included
"""
path = self.new_filename(suffix='_emergency.state')
self.simulation.saveState(path)
uses_pbc = self.system.usesPeriodicBoundaryConditions()
state_kw = dict(getPositions=True, get... |
def prepare_input(argv=None):
"""
Get, parse and prepare input file.
"""
p = ArgumentParser(description='InsiliChem Ommprotocol: '
'easy to deploy MD protocols for OpenMM')
p.add_argument('input', metavar='INPUT FILE', type=extant_file,
help='YAML input file... |
def prepare_handler(cfg):
"""
Load all files into single object.
"""
positions, velocities, box = None, None, None
_path = cfg.get('_path', './')
forcefield = cfg.pop('forcefield', None)
topology_args = sanitize_args_for_file(cfg.pop('topology'), _path)
if 'checkpoint' in cfg:
r... |
def prepare_system_options(cfg, defaults=None):
"""
Retrieve and delete (pop) system options from input configuration.
"""
d = {} if defaults is None else defaults.copy()
if 'nonbondedMethod' in cfg:
d['nonbondedMethod'] = warned_getattr(openmm_app, cfg.pop('nonbondedMethod'), None)
if '... |
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