Commit 06721060 authored by Malthe Kjær Bisbo's avatar Malthe Kjær Bisbo
Browse files

modified moduse structure, added test of imports and changed documentation...

modified moduse structure, added test of imports and changed documentation accordingly as some import statements have changed as a result
parent 752fd85b
...@@ -4,7 +4,7 @@ from ase.constraints import FixAtoms ...@@ -4,7 +4,7 @@ from ase.constraints import FixAtoms
from ase.data import covalent_radii from ase.data import covalent_radii
from ase.ga.utilities import get_mic_distance from ase.ga.utilities import get_mic_distance
from utils import check_valid_bondlengths from gofee.utils import check_valid_bondlengths
import traceback import traceback
import sys import sys
......
from candidates.candidate_generation import CandidateGenerator, StartGenerator from gofee.candidates.candidate_generation import CandidateGenerator, StartGenerator
from candidates.basic_mutations import RattleMutation, PermutationMutation from gofee.candidates.basic_mutations import RattleMutation, RattleMutation2, PermutationMutation
__all__ = ['CandidateGenerator', 'StartGenerator', 'RattleMutation', 'RattleMutation2', 'PermutationMutation'] __all__ = ['CandidateGenerator', 'StartGenerator', 'RattleMutation', 'RattleMutation2', 'PermutationMutation']
...@@ -5,7 +5,7 @@ from ase.geometry import get_distances ...@@ -5,7 +5,7 @@ from ase.geometry import get_distances
from ase.visualize import view from ase.visualize import view
from candidate_operations.candidate_generation import OffspringOperation from gofee.candidates.candidate_generation import OffspringOperation
def pos_add_sphere(rattle_strength): def pos_add_sphere(rattle_strength):
......
...@@ -5,7 +5,7 @@ from ase.geometry import get_distances ...@@ -5,7 +5,7 @@ from ase.geometry import get_distances
from ase import Atoms from ase import Atoms
from ase.visualize import view from ase.visualize import view
from utils import check_valid_bondlengths, get_min_distances_as_fraction_of_covalent from gofee.utils import check_valid_bondlengths, get_min_distances_as_fraction_of_covalent
import warnings import warnings
......
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