22
33from paths_cli .wizard .core import get_missing_object
44from paths_cli .wizard .plugin_registration import get_category_wizard
5- from paths_cli .compiling .tools import custom_eval
65
7- engines = get_category_wizard ('engine' )
86
9- import numpy as np
7+ engines = get_category_wizard ( 'engine' )
108
119
1210def uniform_selector (wizard ):
11+ """Create a uniform selector (using the wizard)"""
1312 import openpathsampling as paths
1413 return paths .UniformSelector ()
1514
15+
1616def gaussian_selector (wizard ):
17+ """Create a Gaussian biased selector (using the wizard)"""
1718 import openpathsampling as paths
1819 cv_name = wizard .ask_enumerate ("Which CV do you want the Gaussian to "
1920 "be based on?" ,
@@ -44,6 +45,7 @@ def gaussian_selector(wizard):
4445
4546 # return allowed
4647
48+
4749SHOOTING_SELECTORS = {
4850 'Uniform random' : uniform_selector ,
4951 'Gaussian bias' : gaussian_selector ,
@@ -59,6 +61,7 @@ def _get_selector(wizard, selectors=None):
5961 selector = selectors [sel ](wizard )
6062 return selector
6163
64+
6265def one_way_shooting (wizard , selectors = None , engine = None ):
6366 from openpathsampling import strategies
6467 if engine is None :
@@ -73,6 +76,7 @@ def one_way_shooting(wizard, selectors=None, engine=None):
7376# def two_way_shooting(wizard, selectors=None, modifiers=None):
7477 # pass
7578
79+
7680def spring_shooting (wizard , engine = None ):
7781 import openpathsampling as paths
7882 if engine is None :
@@ -109,10 +113,10 @@ def shooting(wizard, shooting_types=None, engine=None):
109113 # allowed_modifiers = get_allowed_modifiers(engine)
110114 # TWO_WAY = 'Two-way shooting'
111115 # if len(allowed_modifiers) == 0 and TWO_WAY in shooting_types:
112- # del shooting_types[TWO_WAY]
116+ # del shooting_types[TWO_WAY]
113117 # else:
114- # shooting_types[TWO_WAY] = partial(two_way_shooting,
115- # allowed_modifiers=allowed_modifiers)
118+ # shooting_types[TWO_WAY] = partial(two_way_shooting,
119+ # allowed_modifiers=allowed_modifiers)
116120
117121 shooting_type = None
118122 if len (shooting_types ) == 1 :
@@ -126,4 +130,3 @@ def shooting(wizard, shooting_types=None, engine=None):
126130
127131 shooting_strategy = shooting_type (wizard )
128132 return shooting_strategy
129-
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