io¶

Bindings for core::chemical::io namespace

class pyrosetta.rosetta.core.chemical.io.MergeAndSplitBehaviorManager¶

Bases: pybind11_object

merge_behavior_for_name3(self: pyrosetta.rosetta.core.chemical.io.MergeAndSplitBehaviorManager, name3: str) → Tuple[pyrosetta.rosetta.core.chemical.io.merge_residue_behavior, pyrosetta.rosetta.std.map_std_string_std_string]¶

What is the merge behavior for this residue by PDB 3-letter code?

C++: core::chemical::io::MergeAndSplitBehaviorManager::merge_behavior_for_name3(const std::string &) const –> const struct std::pair<enum core::chemical::io::merge_residue_behavior, class std::map<std::string, std::string, struct std::less<std::string >, class std::allocator<struct std::pair<const std::string, std::string > > > > &

split_behavior_for_name3(self: pyrosetta.rosetta.core.chemical.io.MergeAndSplitBehaviorManager, name3: str) → Tuple[pyrosetta.rosetta.utility.vector1_std_pair_std_string_std_string_t, pyrosetta.rosetta.utility.vector1_std_map_std_string_std_string_std_less_std_string_std_allocator_std_pair_const_std_string_std_string_t]¶

What is the split behavior for this residue by PDB 3-letter code?

C++: core::chemical::io::MergeAndSplitBehaviorManager::split_behavior_for_name3(const std::string &) const –> const struct std::pair<class utility::vector1<struct std::pair<std::string, std::string >, class std::allocator<struct std::pair<std::string, std::string > > >, class utility::vector1<class std::map<std::string, std::string, struct std::less<std::string >, class std::allocator<struct std::pair<const std::string, std::string > > >, class std::allocator<class std::map<std::string, std::string, struct std::less<std::string >, class std::allocator<struct std::pair<const std::string, std::string > > > > > > &

class pyrosetta.rosetta.core.chemical.io.merge_residue_behavior¶

Bases: pybind11_object

Per-residue setting for the behavior of each residue from an input file.

Members:

mrb_do_not_merge

mrb_merge_w_prev

mrb_merge_w_next

mrb_do_not_merge = <merge_residue_behavior.mrb_do_not_merge: 0>¶

mrb_merge_w_next = <merge_residue_behavior.mrb_merge_w_next: 2>¶

mrb_merge_w_prev = <merge_residue_behavior.mrb_merge_w_prev: 1>¶

property name¶

property value¶

pyrosetta.rosetta.core.chemical.io.read_merge_behaviors_from_database_file(filename: str) → pyrosetta.rosetta.std.map_std_string_std_pair_core_chemical_io_merge_residue_behavior_std_map_std_string_std_string_std_less_std_string_std_allocator_std_pair_const_std_string_std_string_t_std_allocator_std_pair_const_std_string_std_pair_core_chemical_io_merge_residue_behavior_std_map_std_string_std_string_std_less_std_string_std_allocator_std_pair_const_std_string_std_string_t¶

Return a mapping of PDB 3-letter codes to a set of merging instructions.

C++: core::chemical::io::read_merge_behaviors_from_database_file(const std::string &) –> class std::map<std::string, struct std::pair<enum core::chemical::io::merge_residue_behavior, class std::map<std::string, std::string, struct std::less<std::string >, class std::allocator<struct std::pair<const std::string, std::string > > > >, struct std::less<std::string >, class std::allocator<struct std::pair<const std::string, struct std::pair<enum core::chemical::io::merge_residue_behavior, class std::map<std::string, std::string, struct std::less<std::string >, class std::allocator<struct std::pair<const std::string, std::string > > > > > > >

pyrosetta.rosetta.core.chemical.io.read_split_behaviors_from_database_file(filename: str) → pyrosetta.rosetta.std.map_std_string_std_pair_utility_vector1_std_pair_std_string_std_string_std_allocator_std_pair_std_string_std_string_utility_vector1_std_map_std_string_std_string_std_less_std_string_std_allocator_std_pair_const_std_string_std_string_std_allocator_std_map_std_string_std_string_std_less_std_string_std_allocator_std_pair_const_std_string_std_string_t_std_allocator_std_pair_const_std_string_std_pair_utility_vector1_std_pair_std_string_std_string_std_allocator_std_pair_std_string_std_string_utility_vector1_std_map_std_string_std_string_std_less_std_string_std_allocator_std_pair_const_std_string_std_string_std_allocator_std_map_std_string_std_string_std_less_std_string_std_allocator_std_pair_const_std_string_std_string_t¶

Return a mapping of PDB 3-letter codes to a set of splitting instructions.

C++: core::chemical::io::read_split_behaviors_from_database_file(const std::string &) –> class std::map<std::string, struct std::pair<class utility::vector1<struct std::pair<std::string, std::string >, class std::allocator<struct std::pair<std::string, std::string > > >, class utility::vector1<class std::map<std::string, std::string, struct std::less<std::string >, class std::allocator<struct std::pair<const std::string, std::string > > >, class std::allocator<class std::map<std::string, std::string, struct std::less<std::string >, class std::allocator<struct std::pair<const std::string, std::string > > > > > >, struct std::less<std::string >, class std::allocator<struct std::pair<const std::string, struct std::pair<class utility::vector1<struct std::pair<std::string, std::string >, class std::allocator<struct std::pair<std::string, std::string > > >, class utility::vector1<class std::map<std::string, std::string, struct std::less<std::string >, class std::allocator<struct std::pair<const std::string, std::string > > >, class std::allocator<class std::map<std::string, std::string, struct std::less<std::string >, class std::allocator<struct std::pair<const std::string, std::string > > > > > > > > >