Merge pull request #1 from dskoda/void

rename package to VOID

Author: Daniel Schwalbe-Koda

moldocker/__init__.py renamed to VOID/__init__.py

@@ -2,8 +2,8 @@
 from typing import List
 from pymatgen.core import Structure, Molecule
 
-from moldocker.structure import Complex
-from moldocker.object import ParseableObject
+from VOID.structure import Complex
+from VOID.object import ParseableObject
 
 
 ATTEMPTS = 50

moldocker/dockers/__init__.py renamed to VOID/dockers/__init__.py

@@ -1,8 +1,8 @@
 import numpy as np
 
 from .base import Docker
-from moldocker.structure import Complex
-from moldocker.utils.geometry import random_rotation_matrices
+from VOID.structure import Complex
+from VOID.utils.geometry import random_rotation_matrices
 
 
 class BatchDocker(Docker):

moldocker/dockers/base.py renamed to VOID/dockers/base.py

@@ -1,8 +1,8 @@
 import numpy as np
 
-from moldocker.structure import Complex
-from moldocker.mcarlo import Metropolis, Action
-from moldocker.dockers import Docker
+from VOID.structure import Complex
+from VOID.mcarlo import Metropolis, Action
+from VOID.dockers import Docker
 
 
 class MonteCarloDocker(Metropolis, Docker):

moldocker/dockers/batch.py renamed to VOID/dockers/batch.py

@@ -1,8 +1,8 @@
 import numpy as np
 
 from .base import Docker
-from moldocker.structure import Complex
-from moldocker.utils.geometry import random_rotation_matrices
+from VOID.structure import Complex
+from VOID.utils.geometry import random_rotation_matrices
 
 
 class SerialDocker(Docker):

moldocker/dockers/mcdocker.py renamed to VOID/dockers/mcdocker.py

@@ -1,6 +1,6 @@
 import numpy as np
 
-from moldocker.object import ParseableObject
+from VOID.object import ParseableObject
 
 
 MAX_SUBDOCK = 1

moldocker/dockers/serial.py renamed to VOID/dockers/serial.py

@@ -1,8 +1,8 @@
 import numpy as np
 
-from moldocker.structure import Complex
-from moldocker.dockers.serial import SerialDocker
-from moldocker.dockers.mcdocker import MonteCarloDocker
+from VOID.structure import Complex
+from VOID.dockers.serial import SerialDocker
+from VOID.dockers.mcdocker import MonteCarloDocker
 
 
 class SuccessDocker(SerialDocker):

moldocker/dockers/subdock.py renamed to VOID/dockers/subdock.py

@@ -1,11 +1,11 @@
 import numpy as np
 import unittest as ut
 
-from moldocker.dockers import BatchDocker
-from moldocker.samplers import OriginSampler
-from moldocker.fitness import MinDistanceFitness
+from VOID.dockers import BatchDocker
+from VOID.samplers import OriginSampler
+from VOID.fitness import MinDistanceFitness
 
-from moldocker.tests.test_inputs import load_structure, load_molecule
+from VOID.tests.test_inputs import load_structure, load_molecule
 
 
 class TestBatch(ut.TestCase):