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- builtins.object
-
- AtomTreeDiff
class AtomTreeDiff(builtins.object) |
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An object wrapper for reading atom_tree_diff files,
complete with embedded reference structures.
Only works with uncompressed files, because we have to be able to
to random access (seekg) to pull out single structures in random order. |
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Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.core.import_pose.atom_tree_diffs.AtomTreeDiff) -> NoneType
2. __init__(self : rosetta.core.import_pose.atom_tree_diffs.AtomTreeDiff, filename : str) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- all_ref_poses(...) from builtins.PyCapsule
- all_ref_poses(rosetta.core.import_pose.atom_tree_diffs.AtomTreeDiff) -> rosetta.utility.vector1_std_shared_ptr_core_pose_Pose_t
Allows access to and mutation of (!) the references poses stored in this file. Use with caution.
This exists to allow setup on stored reference poses for properties that don't get saved/restored
in PDB format, like covalent constraints for enzyme design.
- count(...) from builtins.PyCapsule
- count(self : rosetta.core.import_pose.atom_tree_diffs.AtomTreeDiff, tag : str) -> int
- get_ref_tags(...) from builtins.PyCapsule
- get_ref_tags(rosetta.core.import_pose.atom_tree_diffs.AtomTreeDiff) -> rosetta.std.map_std_string_int
- get_tag_score_map(...) from builtins.PyCapsule
- get_tag_score_map(rosetta.core.import_pose.atom_tree_diffs.AtomTreeDiff) -> rosetta.std.map_std_string_unsigned_long
- has_ref_pose(...) from builtins.PyCapsule
- has_ref_pose(self : rosetta.core.import_pose.atom_tree_diffs.AtomTreeDiff, tag : str) -> bool
returns true if a reference struct with the given tag is present
- has_ref_tag(...) from builtins.PyCapsule
- has_ref_tag(self : rosetta.core.import_pose.atom_tree_diffs.AtomTreeDiff, tag : str) -> bool
- has_tag(...) from builtins.PyCapsule
- has_tag(self : rosetta.core.import_pose.atom_tree_diffs.AtomTreeDiff, tag : str) -> bool
True if a (non-reference) structure with the given tag is present in the file
- read_file(...) from builtins.PyCapsule
- read_file(self : rosetta.core.import_pose.atom_tree_diffs.AtomTreeDiff, filename : str) -> NoneType
- read_pose(...) from builtins.PyCapsule
- read_pose(*args, **kwargs)
Overloaded function.
1. read_pose(self : rosetta.core.import_pose.atom_tree_diffs.AtomTreeDiff, tag : str, pose_out : rosetta.core.pose.Pose) -> NoneType
Reads the pose data from file and reconstructs the complete pose.
2. read_pose(self : rosetta.core.import_pose.atom_tree_diffs.AtomTreeDiff, tag : str, pose_out : rosetta.core.pose.Pose, ref_pose : rosetta.core.pose.Pose) -> NoneType
Reads the pose data from file and reconstructs the complete pose, using the supplied reference pose.
- ref_pose_for(...) from builtins.PyCapsule
- ref_pose_for(self : rosetta.core.import_pose.atom_tree_diffs.AtomTreeDiff, tag : str) -> rosetta.core.pose.Pose
Returns the default reference pose for the given tag. Fails if none is available.
- scores(...) from builtins.PyCapsule
- scores(rosetta.core.import_pose.atom_tree_diffs.AtomTreeDiff) -> rosetta.utility.vector1_std_pair_std_string_std_map_std_string_double_std_less_std_string_std_allocator_std_pair_const_std_string_double_t
Return list of (pose tag, score sets) pairs for all poses, in file order.
- sort_by(...) from builtins.PyCapsule
- sort_by(*args, **kwargs)
Overloaded function.
1. sort_by(score_name : str, scores : rosetta.utility.vector1_std_pair_std_string_std_map_std_string_double_std_less_std_string_std_allocator_std_pair_const_std_string_double_t) -> NoneType
Utility function for selecting subsets of structures by score.
2. sort_by(score_name : str, scores : rosetta.utility.vector1_std_pair_std_string_std_map_std_string_double_std_less_std_string_std_allocator_std_pair_const_std_string_double_t, descending : bool) -> NoneType
Utility function for selecting subsets of structures by score.
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