rosetta.core.import_pose.atom_tree_diffs
index
(built-in)

Bindings for core::import_pose::atom_tree_diffs namespace

 
Classes
       
builtins.object
AtomTreeDiff

 
class AtomTreeDiff(builtins.object)
    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.
 
  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.

 
Functions
       
file_is_atom_tree_diff(...) method of builtins.PyCapsule instance
file_is_atom_tree_diff(filename : str) -> bool
 
Test if given file is an atom_tree_diff
map_of_weighted_scores(...) method of builtins.PyCapsule instance
map_of_weighted_scores(pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, scores_out : rosetta.std.map_std_string_double) -> NoneType
 
Helper for dump_atom_tree_diff(), fills map with weighted score terms.
rms_error_with_noise(...) method of builtins.PyCapsule instance
rms_error_with_noise(*args, **kwargs)
Overloaded function.
 
1. rms_error_with_noise(ref_pose : rosetta.core.pose.Pose) -> NoneType
 
For use in deciding how many digits of precision you need when diffing an atom tree.
 
2. rms_error_with_noise(ref_pose : rosetta.core.pose.Pose, bb_precision : int) -> NoneType
 
For use in deciding how many digits of precision you need when diffing an atom tree.
 
3. rms_error_with_noise(ref_pose : rosetta.core.pose.Pose, bb_precision : int, sc_precision : int) -> NoneType
 
For use in deciding how many digits of precision you need when diffing an atom tree.