OpenEye-datarecord API Reference¶
Note
For information about the OERecord class and other underlying implementation details, see the relevant reference documentation on the OpenEye toolkits.
OERecord class¶
-
class
datarecord.
OERecord
(*args)¶ Proxy of C++ OEDataFlow::OERecord class.
-
add_field
(OERecord self, OEFieldBase f) → bool¶
-
check_field
(OERecord self, OEFieldBase field, bool matchMeta=False) → unsigned int¶
-
clear
(OERecord self)¶
-
clear_value
(OERecord self, OEFieldBase f) → bool¶
-
delete_field
(OERecord self, OEFieldBase f) → bool¶
-
flush
(OERecord self)¶
-
get_bytes
(OERecord self, OEFieldBase f) → OEUCharVector¶ get_bytes(OERecord self, OEUCharVector ret, OEFieldBase f) -> bool get_bytes(OERecord self, std::string const & fieldName) -> OEUCharVector
-
get_child_record
(OERecord self, OEFieldBase f, std::string const & key) → OERecord¶ get_child_record(OERecord self, OEFieldBase f, int key) -> OERecord
-
get_child_records
(OERecord self, OEFieldBase f) → std::map< std::string,OEDataFlow::OERecord >¶ get_child_records(OERecord self, OEFieldBase field=OEFieldBase()) -> PyObject
-
get_field
(OERecord self, std::string const & name, bool include_meta=True) → PyObject¶
-
get_field_meta
(OERecord self, std::string const & name) → OEFieldMeta¶
-
get_record_meta
(OERecord self) → OERecordMeta¶
-
get_reference
(OERecord self, OEFieldBase f) → PyObject *¶
-
get_source_id
(OERecord self) → std::string¶
-
static
get_version
() → std::string¶
-
has_child_record
(OERecord self, OEFieldBase f, std::string const & key) → bool¶ has_child_record(OERecord self, OEFieldBase f, int key) -> bool
-
has_child_records
(OERecord self, OEFieldBase f) → bool¶
-
has_field
(OERecord self, OEFieldBase field, bool matchMeta=False) → bool¶
-
has_value
(OERecord self, OEFieldBase field) → bool¶
-
is_empty
(OERecord self) → bool¶
-
is_na
(OERecord self, OEFieldBase field) → bool¶ is_na(OERecord self, std::string const & fieldName) -> bool
-
set_bytes
(OERecord self, OEFieldBase f, OEUCharVector d) → bool¶ set_bytes(OERecord self, OEFieldBase f, OEOptionalUCharVector d) -> bool
-
set_record_meta
(OERecord self, OERecordMeta meta)¶
-
set_reference
(OERecord self, OEFieldBase f, PyObject * val) → PyObject *¶
-
set_source_id
(OERecord self, std::string const & id)¶
-
property
thisown
¶ The membership flag
-
OEMolRecord class¶
-
class
datarecord.
OEMolRecord
(*args)¶ Proxy of C++ OEDataFlow::OEMolRecord class.
-
GetAtomRecords
(OEMolRecord self, OEMolField field) → std::map< std::string,OEDataFlow::OERecord >¶
-
GetBondRecords
(OEMolRecord self, OEMolField field) → std::map< std::string,OEDataFlow::OERecord >¶
-
delete_atom_record
(OEMolRecord self, OEAtomBase atom) → bool¶
-
delete_bond_record
(OEMolRecord self, OEBondBase bond) → bool¶
-
delete_conf_record
(OEMolRecord self, OEConfBase conf) → bool¶
-
get_atom_records
(OEMolRecord self, OEFieldBase f=OEFieldBase()) → PyObject¶
-
get_bond_records
(OEMolRecord self, OEFieldBase f=OEFieldBase()) → PyObject¶
-
get_conf_records
(OEMolRecord self, OEFieldBase f=OEFieldBase()) → PyObject¶
-
get_mol
(OEMolRecord self, OEFieldBase f=OEFieldBase()) → PyObject¶
-
get_mol_reference
(OEMolRecord self, OEFieldBase f=OEFieldBase()) → PyObject¶
-
get_primary_mol_field
(OEMolRecord self, std::string const defName="Molecule", OEFieldMeta meta=OEDataFlow::OEFieldMeta()) → OEMolField¶
-
has_atom_record
(OEMolRecord self, OEAtomBase atom) → bool¶
-
has_bond_record
(OEMolRecord self, OEBondBase bond) → bool¶
-
has_conf_record
(OEMolRecord self, OEConfBase conf) → bool¶
-
has_mol
(OEMolRecord self, OEFieldBase field=OEDataFlow::OEFieldBase()) → bool¶
-
set_atom_record
(OEMolRecord self, OEAtomBase atom, OERecord record)¶
-
set_bond_record
(OEMolRecord self, OEBondBase bond, OERecord record)¶
-
set_conf_record
(OEMolRecord self, OEConfBase conf, OERecord record)¶
-
set_mol
(OEMolRecord self, OEChem::OEMol const & mol, OEFieldBase field=OEDataFlow::OEFieldBase(), OEFieldMeta meta=OEDataFlow::OEFieldMeta()) → bool¶ set_mol(OEMolRecord self, PyObject * mol, OEFieldBase f=OEFieldBase(), OEFieldMeta meta=OEFieldMeta()) -> PyObject
-
set_mol_reference
(OEMolRecord self, PyObject * mol, OEFieldBase f=OEFieldBase()) → PyObject¶
-
property
thisown
¶ The membership flag
-
OEField class¶
-
class
datarecord.
OEField
(name, dataType, meta=<openeye.oechem.OEFieldMeta; proxy of <Swig Object of type 'OEDataFlow::OEFieldMeta *'> >, read_only=False, nullable=False, units=None)¶
Types class¶
-
class
datarecord.
Types
¶
-
Types.
Record
= <openeye.oechem.OERecordType; proxy of <Swig Object of type 'OEDataFlow::OEFieldType< OERecord > *'> >¶ Proxy of C++ OEDataFlow::OEFieldType< OERecord > class.
-
Types.
RecordVec
= <openeye.oechem.OERecordVecType; proxy of <Swig Object of type 'OEDataFlow::OEVectorFieldType< OEDataFlow::OERecord > *'> >¶ Proxy of C++ OEDataFlow::OEVectorFieldType< OERecord > class.
OEMatchField class¶
-
class
datarecord.
OEMatchField
(name, dataType, meta=<openeye.oechem.OEFieldMeta; proxy of <Swig Object of type 'OEDataFlow::OEFieldMeta *'> >, read_only=False, nullable=False)¶
OEPrimaryMolField class¶
OEFieldMeta class¶
-
class
datarecord.
OEFieldMeta
(*args, **kwargs)¶ Proxy of C++ OEDataFlow::OEFieldMeta class.
-
static
GetValue
(std::string const & name) → unsigned int¶
-
Merge
(OEMeta self, OEMeta other)¶
-
add_attribute
(OEFieldMeta self, unsigned int key, std::string const & val) → OEFieldMeta¶ add_attribute(OEFieldMeta self, unsigned int key, double const & val) -> OEFieldMeta add_attribute(OEFieldMeta self, unsigned int key, int const & val) -> OEFieldMeta
-
add_relation
(OEFieldMeta self, unsigned int relationship, OEFieldBase otherField) → OEFieldMeta¶
-
clear
(OEMeta self)¶
-
get_attribute
(OEMeta self, unsigned int key) → PyObject *¶
-
get_attributes
(OEMeta self, unsigned int key=0) → OEDataFlow::AttributeList¶
-
get_field_relations
(OEFieldMeta self, std::string const & name) → OEUIntVector¶
-
get_float_attribute
(OEMeta self, unsigned int key, unsigned int idx) → double¶
-
get_int_attribute
(OEMeta self, unsigned int key, unsigned int idx) → int¶
-
static
get_name
(unsigned int key) → std::string¶
-
get_options
(OEMeta self) → OEUIntVector¶
-
get_str_attribute
(OEMeta self, unsigned int key, unsigned int idx) → std::string¶
-
has_attribute
(OEMeta self, unsigned int key) → bool¶ has_attribute(OEMeta self, unsigned int key, std::string const & value) -> bool has_attribute(OEMeta self, unsigned int key, double const & value) -> bool has_attribute(OEMeta self, unsigned int key, int const & value) -> bool
-
has_option
(OEMeta self, unsigned int option) → bool¶
-
is_subset_of
(OEMeta self, OEMeta other) → bool¶
-
remove_attribute
(OEFieldMeta self, unsigned int key) → OEFieldMeta¶ remove_attribute(OEFieldMeta self, unsigned int key, std::string const & val) -> OEFieldMeta remove_attribute(OEFieldMeta self, unsigned int key, double const & val) -> OEFieldMeta remove_attribute(OEFieldMeta self, unsigned int key, int const & val) -> OEFieldMeta
-
remove_option
(OEFieldMeta self, unsigned int option) → OEFieldMeta¶
-
set_attribute
(OEFieldMeta self, unsigned int key, std::string const & val) → OEFieldMeta¶ set_attribute(OEFieldMeta self, unsigned int key, double const & val) -> OEFieldMeta set_attribute(OEFieldMeta self, unsigned int key, int const & val) -> OEFieldMeta
-
set_attributes
(OEMeta self, OEDataFlow::AttributeList const & attrs)¶
-
set_option
(OEFieldMeta self, unsigned int option) → OEFieldMeta¶
-
set_options
(OEFieldMeta self, OEUIntVector options) → OEFieldMeta¶
-
property
thisown
¶ The membership flag
-
static
OERecordMeta class¶
-
class
datarecord.
OERecordMeta
¶ Proxy of C++ OEDataFlow::OERecordMeta class.
-
static
GetValue
(std::string const & name) → unsigned int¶
-
Merge
(OEMeta self, OEMeta other)¶
-
add_attribute
(OERecordMeta self, unsigned int key, std::string const & val) → OERecordMeta¶ add_attribute(OERecordMeta self, unsigned int key, double const & val) -> OERecordMeta add_attribute(OERecordMeta self, unsigned int key, int const & val) -> OERecordMeta
-
clear
(OEMeta self)¶
-
get_attribute
(OEMeta self, unsigned int key) → PyObject *¶
-
get_attributes
(OEMeta self, unsigned int key=0) → OEDataFlow::AttributeList¶
-
get_float_attribute
(OEMeta self, unsigned int key, unsigned int idx) → double¶
-
get_int_attribute
(OEMeta self, unsigned int key, unsigned int idx) → int¶
-
static
get_name
(unsigned int key) → std::string¶
-
get_options
(OEMeta self) → OEUIntVector¶
-
get_str_attribute
(OEMeta self, unsigned int key, unsigned int idx) → std::string¶
-
has_attribute
(OEMeta self, unsigned int key) → bool¶ has_attribute(OEMeta self, unsigned int key, std::string const & value) -> bool has_attribute(OEMeta self, unsigned int key, double const & value) -> bool has_attribute(OEMeta self, unsigned int key, int const & value) -> bool
-
has_option
(OEMeta self, unsigned int option) → bool¶
-
is_subset_of
(OEMeta self, OEMeta other) → bool¶
-
remove_attribute
(OERecordMeta self, unsigned int key) → OERecordMeta¶ remove_attribute(OERecordMeta self, unsigned int key, std::string const & val) -> OERecordMeta remove_attribute(OERecordMeta self, unsigned int key, double const & val) -> OERecordMeta remove_attribute(OERecordMeta self, unsigned int key, int const & val) -> OERecordMeta
-
remove_option
(OERecordMeta self, unsigned int option) → OERecordMeta¶
-
set_attribute
(OERecordMeta self, unsigned int key, std::string const & val) → OERecordMeta¶ set_attribute(OERecordMeta self, unsigned int key, double const & val) -> OERecordMeta set_attribute(OERecordMeta self, unsigned int key, int const & val) -> OERecordMeta
-
set_attributes
(OEMeta self, OEDataFlow::AttributeList const & attrs)¶
-
set_option
(OERecordMeta self, unsigned int option) → OERecordMeta¶
-
set_options
(OERecordMeta self, OEUIntVector options) → OERecordMeta¶
-
property
thisown
¶ The membership flag
-
static
Meta class¶
-
class
datarecord.
Meta
¶ A class containing metadata constants used by the
OEFieldMeta
andOERecordMeta
classes.-
class
Annotation
¶ A class defining annotation attributes. Attribute type is str.
-
Description
¶
-
Author
¶
-
Comments
¶
-
-
class
Constraints
¶
-
class
Display
¶ A class defining hints for how to display information.
-
Hidden
¶
-
AsMean
¶
-
AsRange
¶
-
Precision1
¶
-
Precision2
¶
-
Precision3
¶
-
Precision4
¶
-
PreferLog
¶
-
ColorBy
¶
-
MarkerBy
¶
-
SizeBy
¶
-
XAxis
¶
-
YAxis
¶
-
HiddenFrom3D
¶
-
HiddenFromSpreadsheet
¶
-
HiddenFromPlot
¶
-
HiddenFromTileView
¶
-
HiddenByDefault
¶
-
class
Chem
¶
-
class
Values
¶
-
-
class
Flags
¶ A class defining column option flags.
-
ID
¶
-
Deprecated
¶
-
Range
¶
-
Categorical
¶
-
Ordinal
¶
-
Invalid
¶
-
Readonly
¶
-
DoNotSave
¶
-
Independent
¶
-
Experimental
¶
-
Calculated
¶
-
SDData
¶
-
GenericData
¶
-
PDBData
¶
-
UserCreated
¶
-
Optional
¶
-
Predicted
¶
-
-
class
Hints
¶ A class defining interpretation hint options for column data.
-
Image
¶
-
Image_SVG
¶
-
Image_PNG
¶
-
Image_JPG
¶
-
Date
¶
-
URL
¶
-
ImageURL
¶
-
LargerValuesBetter
¶
-
SmallerValuesBetter
¶
-
ShardID
¶
-
ClusterID
¶
-
ClusterHead
¶
-
ClusterX
¶
-
ClusterY
¶
-
-
class
Relations
¶ A class defining relationship attributes to other columns. The attribute type is str, for column names.
-
ChildOf
¶
-
UnitsFor
¶
-
ErrorsFor
¶
-
DetailsFor
¶
-
MeanFor
¶
-
GroupID
¶
-
ReplacedBy
¶
-
AppliesTo
¶
-
CommentFor
¶
-
MeasurementUpperLimitFor
¶
-
MeasurementLowerLimitFor
¶
-
QualifierFor
¶
-
SplitFrom
¶
-
-
class
Source
¶ A class defining column source attributes. Attribute type is str.
-
ID
¶
-
JobID
¶
-
ServiceID
¶
-
Version
¶
-
Query
¶
-
-
class