diff --git a/prody/__init__.py b/prody/__init__.py index cf6ff2b10..ba1a38861 100644 --- a/prody/__init__.py +++ b/prody/__init__.py @@ -115,11 +115,6 @@ def turnonDepracationWarnings(action='always'): __all__.extend(dynamics.__all__) __all__.append('dynamics') -from . import hybrid -from .hybrid import * -__all__.extend(hybrid.__all__) -__all__.append('hybrid') - from . import ensemble from .ensemble import * __all__.extend(ensemble.__all__) diff --git a/prody/dynamics/__init__.py b/prody/dynamics/__init__.py index 77fe83969..c28d1eb38 100644 --- a/prody/dynamics/__init__.py +++ b/prody/dynamics/__init__.py @@ -339,8 +339,25 @@ from .signature import * __all__.extend(signature.__all__) +from . import adaptive +from .adaptive import * +__all__.extend(adaptive.__all__) + +from . import hybrid +from .hybrid import * +__all__.extend(hybrid.__all__) + +from . import clustenm +from .clustenm import * +__all__.extend(clustenm.__all__) + from . import essa from .essa import * __all__.extend(essa.__all__) +# workaround for circular dependency to accommodate original design style +from prody.ensemble import functions +functions.Hybrid = Hybrid +functions.ClustENM = ClustENM +functions.AdaptiveHybrid = AdaptiveHybrid diff --git a/prody/hybrid/adaptive.py b/prody/dynamics/adaptive.py similarity index 99% rename from prody/hybrid/adaptive.py rename to prody/dynamics/adaptive.py index 1c96e356d..327f537a3 100644 --- a/prody/hybrid/adaptive.py +++ b/prody/dynamics/adaptive.py @@ -26,9 +26,9 @@ from prody.ensemble.ensemble import Ensemble from prody.proteins.pdbfile import writePDBStream, parsePDBStream -from prody.dynamics.functions import calcENM -from prody.dynamics.modeset import ModeSet -from prody.dynamics.nma import NMA +from .functions import calcENM +from .modeset import ModeSet +from .nma import NMA from .hybrid import Hybrid diff --git a/prody/hybrid/clustenm.py b/prody/dynamics/clustenm.py similarity index 99% rename from prody/hybrid/clustenm.py rename to prody/dynamics/clustenm.py index 02f5b472b..cee7f9d60 100644 --- a/prody/hybrid/clustenm.py +++ b/prody/dynamics/clustenm.py @@ -36,13 +36,13 @@ from scipy.cluster.hierarchy import fcluster, linkage from prody import LOGGER -from prody.dynamics.anm import ANM -from prody.dynamics.gnm import GNM, ZERO -from prody.dynamics.rtb import RTB -from prody.dynamics.imanm import imANM -from prody.dynamics.exanm import exANM -from prody.dynamics.editing import extendModel -from prody.dynamics.sampling import sampleModes +from .anm import ANM +from .gnm import GNM, ZERO +from .rtb import RTB +from .imanm import imANM +from .exanm import exANM +from .editing import extendModel +from .sampling import sampleModes from prody.measure.transform import calcTransformation, applyTransformation, calcRMSD from prody.proteins.pdbfile import writePDB, writePDBStream, parsePDBStream diff --git a/prody/hybrid/hybrid.py b/prody/dynamics/hybrid.py similarity index 99% rename from prody/hybrid/hybrid.py rename to prody/dynamics/hybrid.py index b75163a40..e31010fb3 100644 --- a/prody/hybrid/hybrid.py +++ b/prody/dynamics/hybrid.py @@ -37,9 +37,9 @@ from prody import LOGGER -from prody.dynamics.anm import ANM -from prody.dynamics.gnm import GNM, ZERO -from prody.dynamics.editing import extendModel +from .anm import ANM +from .gnm import GNM, ZERO +from .editing import extendModel from prody.measure.transform import calcTransformation, applyTransformation, calcRMSD from prody.ensemble.ensemble import Ensemble diff --git a/prody/hybrid/__init__.py b/prody/hybrid/__init__.py deleted file mode 100644 index bd642413d..000000000 --- a/prody/hybrid/__init__.py +++ /dev/null @@ -1,28 +0,0 @@ -# -*- coding: utf-8 -*- -"""This module defines classes and functions for hybrid simulations. - -""" - -__all__ = [] - -from . import hybrid -from .hybrid import * -__all__.extend(hybrid.__all__) - -from . import clustenm -from .clustenm import * -__all__.extend(clustenm.__all__) - -from . import adaptive -from .adaptive import * -__all__.extend(adaptive.__all__) - -from . import comd -from .comd import * -__all__.extend(comd.__all__) - -# workaround for circular dependency to accommodate original design style -from prody.ensemble import functions -functions.Hybrid = Hybrid -functions.ClustENM = ClustENM -functions.AdaptiveHybrid = AdaptiveHybrid