extra_scores

class pyrosetta.bindings.scores.extra_scores.ExtraFloatScoresDataAccessor(pose)

Bases: ExtraScoresAccessorBase

Accessor wrapper for pose arbitrary extra float scores.

_CustomTypeMetric

alias of CustomTypeMetric

_abc_impl = <_abc._abc_data object>
_clobber_warning(msg)

Issue a ClobberWarning warning with a message.

_custom_type_metrics = {'bool': CustomTypeMetric(type=<class 'bool'>, prefix='[CustomBooleanValueMetric]', encode_func=<class 'str'>, decode_func=<function PoseScoreSerializerBase.bool_from_str>), 'bytes': CustomTypeMetric(type=<class 'bytes'>, prefix='[CustomBinaryValueMetric]', encode_func=<function PoseScoreSerializerBase.to_base64>, decode_func=<function PoseScoreSerializerBase.from_base64>), 'int': CustomTypeMetric(type=<class 'int'>, prefix='[CustomDiscreteValueMetric]', encode_func=<class 'str'>, decode_func=<class 'int'>), 'object': CustomTypeMetric(type=<class 'object'>, prefix='[CustomArbitraryValueMetric]', encode_func=<function PoseScoreSerializerBase.to_base64_pickle>, decode_func=<function PoseScoreSerializerBase.from_base64_pickle>)}
_get_sm_data_dict(attributes)
_has_reserved_custom_metric_keys()
_maybe_delete_keys_from_sm_data(keys=None, attributes=None)

Cache, clear, and restore all SimpleMetric data except the provided keys in the provided SimpleMetricDataAccessor attributes. This is necessary to delete one or more keys, since clear_sm_data clears all SimpleMetric data.

_maybe_delete_reserved_keys_from_sm_data()

CustomRealValueMetric and CustomStringValueMetric can save the extra default keys “custom_real_valued_metric” or “custom_string_valued_metric” because pose.cache.metrics does not set a ‘custom_type’ parameter when setting SimpleMetric data. This method aims to delete these extra default keys if they were created and we can delete them.

_repr_pretty_(p, cycle)

IPython-display representation.

property _reserved

Reserved scoretype keys that cannot be set or deleted.

property _reserved_custom_metric_keys

Reserved scoretype keys for SimpleMetrics that cannot be set or deleted.

_reserved_custom_metric_keys_warning()

Warn that reserved custom metric keys were added to the data cache.

_reserved_types = (<class 'str'>, <class 'float'>)
property _sm_data_accessor_attrs

Supported SimpleMetricDataAccessor attributes to reset after clear_sm_data.

property _unsupported_sm_data_accessor_attrs

Unsupported SimpleMetricDataAccessor attributes that cannot be reset after clear_sm_data.

_validate_del(key)

Validate that a key can be deleted.

_validate_set(key)

Validate that a key can be set.

property all
apply(metric, key, value)

Apply a SimpleMetric with a key/value pair to the pose.

static bool_from_str(value)
clear() → None.  Remove all items from D.
static from_base64(value)
static from_base64_pickle(value)
static from_pickle(value)
get(k[, d]) → D[k] if k in D, else d.  d defaults to None.
items() → a set-like object providing a view on D's items
keys() → a set-like object providing a view on D's keys
static maybe_decode(value)

Deserialize the input value if it’s serialized.

static maybe_encode(value)

Serialize the input value into a str object if it’s not a str or float object.

pop(k[, d]) → v, remove specified key and return the corresponding value.

If key is not found, d is returned if given, otherwise KeyError is raised.

popitem() → (k, v), remove and return some (key, value) pair

as a 2-tuple; but raise KeyError if D is empty.

pose
setdefault(k[, d]) → D.get(k,d), also set D[k]=d if k not in D
static to_base64(value)
static to_base64_pickle(value)
static to_pickle(value)
update([E, ]**F) → None.  Update D from mapping/iterable E and F.

If E present and has a .keys() method, does: for k in E: D[k] = E[k] If E present and lacks .keys() method, does: for (k, v) in E: D[k] = v In either case, this is followed by: for k, v in F.items(): D[k] = v

values() → an object providing a view on D's values
class pyrosetta.bindings.scores.extra_scores.ExtraScoresAccessor(pose)

Bases: ExtraScoresAccessorBase

Accessor wrapper for pose arbitrary extra string scores and pose arbitrary extra float scores.

_CustomTypeMetric

alias of CustomTypeMetric

_abc_impl = <_abc._abc_data object>
_clobber_warning(msg)

Issue a ClobberWarning warning with a message.

_custom_type_metrics = {'bool': CustomTypeMetric(type=<class 'bool'>, prefix='[CustomBooleanValueMetric]', encode_func=<class 'str'>, decode_func=<function PoseScoreSerializerBase.bool_from_str>), 'bytes': CustomTypeMetric(type=<class 'bytes'>, prefix='[CustomBinaryValueMetric]', encode_func=<function PoseScoreSerializerBase.to_base64>, decode_func=<function PoseScoreSerializerBase.from_base64>), 'int': CustomTypeMetric(type=<class 'int'>, prefix='[CustomDiscreteValueMetric]', encode_func=<class 'str'>, decode_func=<class 'int'>), 'object': CustomTypeMetric(type=<class 'object'>, prefix='[CustomArbitraryValueMetric]', encode_func=<function PoseScoreSerializerBase.to_base64_pickle>, decode_func=<function PoseScoreSerializerBase.from_base64_pickle>)}
_get_sm_data_dict(attributes)
_has_reserved_custom_metric_keys()
_maybe_delete_keys_from_sm_data(keys=None, attributes=None)

Cache, clear, and restore all SimpleMetric data except the provided keys in the provided SimpleMetricDataAccessor attributes. This is necessary to delete one or more keys, since clear_sm_data clears all SimpleMetric data.

_maybe_delete_reserved_keys_from_sm_data()

CustomRealValueMetric and CustomStringValueMetric can save the extra default keys “custom_real_valued_metric” or “custom_string_valued_metric” because pose.cache.metrics does not set a ‘custom_type’ parameter when setting SimpleMetric data. This method aims to delete these extra default keys if they were created and we can delete them.

_repr_pretty_(p, cycle)

IPython-display representation.

property _reserved

Reserved scoretype keys that cannot be set or deleted.

property _reserved_custom_metric_keys

Reserved scoretype keys for SimpleMetrics that cannot be set or deleted.

_reserved_custom_metric_keys_warning()

Warn that reserved custom metric keys were added to the data cache.

_reserved_types = (<class 'str'>, <class 'float'>)
property _sm_data_accessor_attrs

Supported SimpleMetricDataAccessor attributes to reset after clear_sm_data.

property _unsupported_sm_data_accessor_attrs

Unsupported SimpleMetricDataAccessor attributes that cannot be reset after clear_sm_data.

_validate_del(key)

Validate that a key can be deleted.

_validate_set(key)

Validate that a key can be set.

property all

Get all arbitrary extra float and extra string scores (with clobber warnings).

This method aims to mimic data override precedences used in the legacy pose.scores dictionary:

  1. pose.energies().active_total_energies()

  2. ScoreMap.get_arbitrary_score_data_from_pose(pose)

  3. ScoreMap.get_arbitrary_string_data_from_pose(pose)

apply(metric, key, value)

Apply a SimpleMetric with a key/value pair to the pose.

static bool_from_str(value)
clear()

Clear pose extra scores.

static from_base64(value)
static from_base64_pickle(value)
static from_pickle(value)
get(k[, d]) → D[k] if k in D, else d.  d defaults to None.
items() → a set-like object providing a view on D's items
keys() → a set-like object providing a view on D's keys
static maybe_decode(value)

Deserialize the input value if it’s serialized.

static maybe_encode(value)

Serialize the input value into a str object if it’s not a str or float object.

pop(k[, d]) → v, remove specified key and return the corresponding value.

If key is not found, d is returned if given, otherwise KeyError is raised.

popitem() → (k, v), remove and return some (key, value) pair

as a 2-tuple; but raise KeyError if D is empty.

pose
property real
setdefault(k[, d]) → D.get(k,d), also set D[k]=d if k not in D
property string
static to_base64(value)
static to_base64_pickle(value)
static to_pickle(value)
update([E, ]**F) → None.  Update D from mapping/iterable E and F.

If E present and has a .keys() method, does: for k in E: D[k] = E[k] If E present and lacks .keys() method, does: for (k, v) in E: D[k] = v In either case, this is followed by: for k, v in F.items(): D[k] = v

values() → an object providing a view on D's values
class pyrosetta.bindings.scores.extra_scores.ExtraScoresAccessorBase(pose)

Bases: PoseCacheAccessorBase, MutableMapping

Base methods for accessor wrapper for pose arbitrary extra string scores and pose arbitrary extra float scores.

_CustomTypeMetric

alias of CustomTypeMetric

_abc_impl = <_abc._abc_data object>
_clobber_warning(msg)

Issue a ClobberWarning warning with a message.

_custom_type_metrics = {'bool': CustomTypeMetric(type=<class 'bool'>, prefix='[CustomBooleanValueMetric]', encode_func=<class 'str'>, decode_func=<function PoseScoreSerializerBase.bool_from_str>), 'bytes': CustomTypeMetric(type=<class 'bytes'>, prefix='[CustomBinaryValueMetric]', encode_func=<function PoseScoreSerializerBase.to_base64>, decode_func=<function PoseScoreSerializerBase.from_base64>), 'int': CustomTypeMetric(type=<class 'int'>, prefix='[CustomDiscreteValueMetric]', encode_func=<class 'str'>, decode_func=<class 'int'>), 'object': CustomTypeMetric(type=<class 'object'>, prefix='[CustomArbitraryValueMetric]', encode_func=<function PoseScoreSerializerBase.to_base64_pickle>, decode_func=<function PoseScoreSerializerBase.from_base64_pickle>)}
_get_sm_data_dict(attributes)
_has_reserved_custom_metric_keys()
_maybe_delete_keys_from_sm_data(keys=None, attributes=None)

Cache, clear, and restore all SimpleMetric data except the provided keys in the provided SimpleMetricDataAccessor attributes. This is necessary to delete one or more keys, since clear_sm_data clears all SimpleMetric data.

_maybe_delete_reserved_keys_from_sm_data()

CustomRealValueMetric and CustomStringValueMetric can save the extra default keys “custom_real_valued_metric” or “custom_string_valued_metric” because pose.cache.metrics does not set a ‘custom_type’ parameter when setting SimpleMetric data. This method aims to delete these extra default keys if they were created and we can delete them.

_repr_pretty_(p, cycle)

IPython-display representation.

property _reserved

Reserved scoretype keys that cannot be set or deleted.

property _reserved_custom_metric_keys

Reserved scoretype keys for SimpleMetrics that cannot be set or deleted.

_reserved_custom_metric_keys_warning()

Warn that reserved custom metric keys were added to the data cache.

_reserved_types = (<class 'str'>, <class 'float'>)
property _sm_data_accessor_attrs

Supported SimpleMetricDataAccessor attributes to reset after clear_sm_data.

property _unsupported_sm_data_accessor_attrs

Unsupported SimpleMetricDataAccessor attributes that cannot be reset after clear_sm_data.

_validate_del(key)

Validate that a key can be deleted.

_validate_set(key)

Validate that a key can be set.

apply(metric, key, value)

Apply a SimpleMetric with a key/value pair to the pose.

static bool_from_str(value)
clear() → None.  Remove all items from D.
static from_base64(value)
static from_base64_pickle(value)
static from_pickle(value)
get(k[, d]) → D[k] if k in D, else d.  d defaults to None.
items() → a set-like object providing a view on D's items
keys() → a set-like object providing a view on D's keys
static maybe_decode(value)

Deserialize the input value if it’s serialized.

static maybe_encode(value)

Serialize the input value into a str object if it’s not a str or float object.

pop(k[, d]) → v, remove specified key and return the corresponding value.

If key is not found, d is returned if given, otherwise KeyError is raised.

popitem() → (k, v), remove and return some (key, value) pair

as a 2-tuple; but raise KeyError if D is empty.

pose
setdefault(k[, d]) → D.get(k,d), also set D[k]=d if k not in D
static to_base64(value)
static to_base64_pickle(value)
static to_pickle(value)
update([E, ]**F) → None.  Update D from mapping/iterable E and F.

If E present and has a .keys() method, does: for k in E: D[k] = E[k] If E present and lacks .keys() method, does: for (k, v) in E: D[k] = v In either case, this is followed by: for k, v in F.items(): D[k] = v

values() → an object providing a view on D's values
class pyrosetta.bindings.scores.extra_scores.ExtraStringScoresDataAccessor(pose)

Bases: ExtraScoresAccessorBase

Accessor wrapper for pose arbitrary extra string scores.

_CustomTypeMetric

alias of CustomTypeMetric

_abc_impl = <_abc._abc_data object>
_clobber_warning(msg)

Issue a ClobberWarning warning with a message.

_custom_type_metrics = {'bool': CustomTypeMetric(type=<class 'bool'>, prefix='[CustomBooleanValueMetric]', encode_func=<class 'str'>, decode_func=<function PoseScoreSerializerBase.bool_from_str>), 'bytes': CustomTypeMetric(type=<class 'bytes'>, prefix='[CustomBinaryValueMetric]', encode_func=<function PoseScoreSerializerBase.to_base64>, decode_func=<function PoseScoreSerializerBase.from_base64>), 'int': CustomTypeMetric(type=<class 'int'>, prefix='[CustomDiscreteValueMetric]', encode_func=<class 'str'>, decode_func=<class 'int'>), 'object': CustomTypeMetric(type=<class 'object'>, prefix='[CustomArbitraryValueMetric]', encode_func=<function PoseScoreSerializerBase.to_base64_pickle>, decode_func=<function PoseScoreSerializerBase.from_base64_pickle>)}
_get_sm_data_dict(attributes)
_has_reserved_custom_metric_keys()
_maybe_delete_keys_from_sm_data(keys=None, attributes=None)

Cache, clear, and restore all SimpleMetric data except the provided keys in the provided SimpleMetricDataAccessor attributes. This is necessary to delete one or more keys, since clear_sm_data clears all SimpleMetric data.

_maybe_delete_reserved_keys_from_sm_data()

CustomRealValueMetric and CustomStringValueMetric can save the extra default keys “custom_real_valued_metric” or “custom_string_valued_metric” because pose.cache.metrics does not set a ‘custom_type’ parameter when setting SimpleMetric data. This method aims to delete these extra default keys if they were created and we can delete them.

_repr_pretty_(p, cycle)

IPython-display representation.

property _reserved

Reserved scoretype keys that cannot be set or deleted.

property _reserved_custom_metric_keys

Reserved scoretype keys for SimpleMetrics that cannot be set or deleted.

_reserved_custom_metric_keys_warning()

Warn that reserved custom metric keys were added to the data cache.

_reserved_types = (<class 'str'>, <class 'float'>)
property _sm_data_accessor_attrs

Supported SimpleMetricDataAccessor attributes to reset after clear_sm_data.

property _unsupported_sm_data_accessor_attrs

Unsupported SimpleMetricDataAccessor attributes that cannot be reset after clear_sm_data.

_validate_del(key)

Validate that a key can be deleted.

_validate_set(key)

Validate that a key can be set.

property all
apply(metric, key, value)

Apply a SimpleMetric with a key/value pair to the pose.

static bool_from_str(value)
clear() → None.  Remove all items from D.
static from_base64(value)
static from_base64_pickle(value)
static from_pickle(value)
get(k[, d]) → D[k] if k in D, else d.  d defaults to None.
items() → a set-like object providing a view on D's items
keys() → a set-like object providing a view on D's keys
static maybe_decode(value)

Deserialize the input value if it’s serialized.

static maybe_encode(value)

Serialize the input value into a str object if it’s not a str or float object.

pop(k[, d]) → v, remove specified key and return the corresponding value.

If key is not found, d is returned if given, otherwise KeyError is raised.

popitem() → (k, v), remove and return some (key, value) pair

as a 2-tuple; but raise KeyError if D is empty.

pose
setdefault(k[, d]) → D.get(k,d), also set D[k]=d if k not in D
static to_base64(value)
static to_base64_pickle(value)
static to_pickle(value)
update([E, ]**F) → None.  Update D from mapping/iterable E and F.

If E present and has a .keys() method, does: for k in E: D[k] = E[k] If E present and lacks .keys() method, does: for (k, v) in E: D[k] = v In either case, this is followed by: for k, v in F.items(): D[k] = v

values() → an object providing a view on D's values