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Chemical Data Processing Library Python API - Version 1.4.0
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Chemical Data Processing Library Python API - Version 1.4.0
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Interface for reading data objects of type Chem.Reaction from an arbitrary data source. More...
Inheritance diagram for CDPL.Chem.ReactionReaderBase:Public Member Functions | |
| None | __init__ () |
Contructs the ReactionReaderBase instance. | |
| ReactionReaderBase | read (Reaction rxn, bool overwrite=True) |
| Reads the data record at the current record index and stores the read data in rxn. More... | |
| ReactionReaderBase | read (int idx, Reaction rxn, bool overwrite=True) |
| Reads the data record at index idx and stores the read data in rxn. More... | |
| ReactionReaderBase | skip () |
| Skips the data record at the current record index. More... | |
| bool | hasMoreData () |
| Tells if there are any data records left to read. More... | |
| int | getRecordIndex () |
| Returns the index of the current data record. More... | |
| None | setRecordIndex (int idx) |
| Sets the index of the current data record to idx. More... | |
| int | getNumRecords () |
| Returns the total number of available data records. More... | |
| None | close () |
| Performs a reader specific shutdown operation (if required). More... | |
| bool | __nonzero__ () |
| Returns a boolean indicating the error state of the reader. More... | |
| bool | __bool__ () |
| Returns a boolean indicating the error state of the reader. More... | |
| Public Member Functions inherited from CDPL.Base.DataIOBase | |
| int | registerIOCallback (VoidDataIOBaseFunctor func) |
| Registers an I/O callback target function. More... | |
| None | unregisterIOCallback (int id) |
| Unregisters the I/O callback function specified by id. More... | |
| None | invokeIOCallbacks (float progress) |
Invokes all registered I/O callback functions with the argument self. More... | |
| None | clearIOCallbacks () |
| Clears all registered I/O callback functions. | |
| Public Member Functions inherited from CDPL.Base.ControlParameterContainer | |
| None | setParameter (LookupKey key, Any val) |
| Sets the value of the control-parameter specified by key to val. More... | |
| bool | removeParameter (LookupKey key) |
| Removes the entry for the control-parameter specified by key. More... | |
| Any | getParameter (LookupKey key, bool throw_=False, bool local=False) |
| Returns the value of the control-parameter specified by key. More... | |
| Any | getParameterOrDefault (LookupKey key, Any def_val, bool local=False) |
| Returns the value of the control-parameter specified by key , or the default value def_val if an entry does not exist. More... | |
| bool | isParameterSet (LookupKey key, bool local=False) |
| Tells whether or not a value has been assigned to the control-parameter specified by key. More... | |
| None | clearParameters () |
| Erases all container entries. More... | |
| None | addParameters (ControlParameterContainer cntnr) |
Adds the control-parameter value entries of the ControlParameterContainer instance cntnr. More... | |
| None | copyParameters (ControlParameterContainer cntnr) |
| Replaces the current control-parameter entries by a copy of the entries in cntnr. More... | |
| int | getNumParameters () |
| Returns the number of container entries. More... | |
| int | registerParameterChangedCallback (VoidLookupKeyAnyFunctor func) |
| Registers a callback target function that gets invoked when the value of a control-parameter has changed. More... | |
| None | unregisterParameterChangedCallback (int id) |
| Unregisters the callback specified by id. More... | |
| int | registerParameterRemovedCallback (VoidLookupKeyFunctor func) |
| Registers a callback target function that gets invoked when a control-parameter entry has been removed. More... | |
| None | unregisterParameterRemovedCallback (int id) |
| Unregisters the callback specified by id. More... | |
| int | registerParentChangedCallback (VoidFunctor func) |
| Registers a callback target function that gets invoked when the parent container has been changed or was detached. More... | |
| None | unregisterParentChangedCallback (int id) |
| Unregisters the callback specified by id. More... | |
| ControlParameterContainer | getParent () |
| Returns the parent control-parameter container. More... | |
| None | setParent (ControlParameterContainer cntnr) |
| Sets or removes the parent control-parameter container used to resolve requests for missing entries. More... | |
| list | getParameterKeys () |
| Returns a list containing the keys of the current control-parameter entries. More... | |
| list | getParameterValues () |
| Returns a list containing the values of the current control-parameter entries. More... | |
| list | getParameters () |
| Returns a reference to itself. More... | |
| int | getObjectID () |
| Returns the numeric identifier (ID) of the wrapped C++ class instance. More... | |
| Any | __getitem__ (LookupKey key) |
| Returns the value of the control-parameter specified by key. More... | |
| None | __setitem__ (LookupKey key, Any val) |
| Sets the value of the control-parameter specified by key to val. More... | |
| bool | __delitem__ (LookupKey key) |
| Removes the entry for the control-parameter specified by key. More... | |
| bool | __contains__ (LookupKey key) |
| Tells whether or not a value has been assigned to the control-parameter specified by key. More... | |
| int | __len__ () |
| Returns the number of container entries. More... | |
Properties | |
| numRecords = property(getNumRecords) | |
| Properties inherited from CDPL.Base.ControlParameterContainer | |
| objectID = property(getObjectID) | |
| parent = property(getParent, setParent) | |
| parameterKeys = property(getParameterKeys) | |
| parameterValues = property(getParameterValues) | |
| parameters = property(getParameters) | |
| numParameters = property(getNumParameters) | |
Interface for reading data objects of type Chem.Reaction from an arbitrary data source.
ReactionReaderBase is the common interface of classes which read objects of type Chem.Reaction from some data source (e.g. a file) that provides the data encoded in a particular storage format.
From the ReactionReaderBase interface point of view, the data source is organized as an array of logical data records. Each record is addressed by a zero-based sequential record index and contains the data for exactly one data object. The total number of available data records (which is equal to the maximum record index plus 1) can be queried by the method getNumRecords().
Similar to low-level file I/O, data records may either be read in a sequential or in a random access manner. For sequential access the method read(rxn: Reaction) is provided which will read the data record at the 'current' record index (similar to a file reference). The current record index is accessible by the method getRecordIndex() and can be modified using the method setRecordIndex() (similar to a seek operation).
For reading data records in a random access manner a special read() method version is provided that expects the index of the record to read as the first argument.
If a read() (or skip()) operation was successful, the current record index is updated to point to the record immediately following the just read (or skipped) data record. If an operation fails, the reader instance is set into an error state that can be queried by the special methods __bool__() and __nonzero__(). Additionally, a ReactionReaderBase implementation may decide to throw an exception of type Base.IOError to report the error condition.
| ReactionReaderBase CDPL.Chem.ReactionReaderBase.read | ( | Reaction | rxn, |
| bool | overwrite = True |
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| ) |
Reads the data record at the current record index and stores the read data in rxn.
If the read operation was successful, the record index is incremented by 1.
| rxn | The Reaction object storing the read data. |
| overwrite | Specifies whether any existing data in rxn shall be replaced by the newly read data or if the read data should be appended (if supported by the reader and data type). |
| Base.IOError | if an I/O error occurred. |
| ReactionReaderBase CDPL.Chem.ReactionReaderBase.read | ( | int | idx, |
| Reaction | rxn, | ||
| bool | overwrite = True |
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| ) |
Reads the data record at index idx and stores the read data in rxn.
If the read operation was successful, the record index is set to idx + 1.
| idx | The zero-based index of the data record to read. |
| rxn | The Reaction object storing the read data. |
| overwrite | Specifies whether any existing data in rxn shall be replaced by the newly read data or if the read data should be appended (if supported by the reader and data type). |
| Base.IndexError | if idx is greater or equal to the number of records. Base.IOError if an I/O error occurred. |
| ReactionReaderBase CDPL.Chem.ReactionReaderBase.skip | ( | ) |
Skips the data record at the current record index.
If the operation was successful, the record index is incremented by 1.
| Base.IOError | if an I/O error occurred. |
| bool CDPL.Chem.ReactionReaderBase.hasMoreData | ( | ) |
Tells if there are any data records left to read.
True if there are data records left to read, and False otherwise.| Base.IOError | if an I/O error occurred. |
| int CDPL.Chem.ReactionReaderBase.getRecordIndex | ( | ) |
Returns the index of the current data record.
| None CDPL.Chem.ReactionReaderBase.setRecordIndex | ( | int | idx | ) |
Sets the index of the current data record to idx.
| idx | The zero-based index of the data record. |
| Base.IndexError | if idx is greater or equal to the number of available data records. Base.IOError if an I/O error occurred. |
| int CDPL.Chem.ReactionReaderBase.getNumRecords | ( | ) |
Returns the total number of available data records.
| Base.IOError | if an I/O error occurred. |
| None CDPL.Chem.ReactionReaderBase.close | ( | ) |
Performs a reader specific shutdown operation (if required).
| Base.IOError | if an I/O error occurred. |
| bool CDPL.Chem.ReactionReaderBase.__nonzero__ | ( | ) |
Returns a boolean indicating the error state of the reader.
This special method allows to write expressions like:
True if the reader is in a good state, and False otherwise. | bool CDPL.Chem.ReactionReaderBase.__bool__ | ( | ) |
Returns a boolean indicating the error state of the reader.
This special method allows to write expressions like:
True if the reader is in a good state, and False otherwise. 
1.9.1