libSBML C++ API
5.20.2
|
The FbcSpeciesPlugin class codifies an extension of the core SBML Species class defined in the SBML Level 3 Flux Balance Constraints (“fbc”) package. The “fbc” package adds two attributes named "charge" and "chemicalFormula" to Species.
The optional attribute "charge" can contain a signed integer that refers to the Species object's electrical charge (in terms of electrons, not the SI unit of coulombs). Note that this attribute is therefore defined as it is in the SBML Level 2 Version 1 specification. (The charge attribute was removed in higher Versions and Levels of SBML, and is not an attribute of SBML Species in core SBML Level 3. However, it is useful for flux balance constraints models, and thus, the Level 3 “fbc” package adds it.)
The optional attribute "chemicalFormula" can contain a text string that represents the elemental composition of the substance represented by the Species object. The purpose of the "chemicalFormula" attribute is to allow balancing and validating reactions. This is particularly important in constraint-based models. The format of "chemicalFormula" must consist only of atomic names (as given in the Periodic Table of elements) or user-defined compounds, either of which take the form of a single capital letter followed by zero or more lowercase letters. Where there is more than a single atom present, this is indicated with an integer. With regards to order (and to enhance interoperability of models), users are advised to employ the Hill system order. Using this notation, the number of carbon atoms in a molecule is indicated first, followed by the number of hydrogen atoms, and then the number of all other chemical elements in alphabetical order. When the formula contains no carbon, all elements including hydrogen are listed alphabetically.
Here is an example of the XML form of an extended Species definition with these attributes:
<species metaid="meta_M_atp_c" id="M_atp_c" name="ATP" compartment="Cytosol" boundaryCondition="false" initialConcentration="0" hasOnlySubstanceUnits="false" fbc:charge="-4" fbc:chemicalFormula="C10H12N5O13P3"/>
Public Member Functions | |
int | addKeyValuePair (const KeyValuePair *kvp) |
Adds a copy of the given KeyValuePair to this FbcSBasePlugin. More... | |
virtual FbcSpeciesPlugin * | clone () const |
Creates and returns a deep copy of this FbcSpeciesPlugin object. More... | |
KeyValuePair * | createKeyValuePair () |
Creates a new KeyValuePair object, adds it to this FbcSBasePlugin object and returns the KeyValuePair object created. More... | |
FbcSpeciesPlugin (const FbcSpeciesPlugin &orig) | |
Copy constructor for FbcSpeciesPlugin. More... | |
FbcSpeciesPlugin (const std::string &uri, const std::string &prefix, FbcPkgNamespaces *fbcns) | |
Creates a new FbcSpeciesPlugin. More... | |
virtual List * | getAllElements (ElementFilter *filter=NULL) |
Returns a List of all child SBase objects, including those nested to an arbitrary depth. More... | |
virtual int | getCharge () const |
doxygenLibsbmlInternal More... | |
virtual double | getChargeAsDouble () const |
Returns the value of the "charge" attribute of this FbcSpeciesPlugin. More... | |
virtual const std::string & | getChemicalFormula () const |
Returns the value of the "chemicalFormula" attribute of this FbcSpeciesPlugin. More... | |
virtual SBase * | getElementByMetaId (const std::string &metaid) |
Returns the first child element that has the given metaid , or NULL if no such object is found. More... | |
virtual SBase * | getElementBySId (const std::string &id) |
Returns the first child element that has the given id in the model-wide SId namespace, or NULL if no such object is found. More... | |
const std::string & | getElementNamespace () const |
Returns the namespace URI of the package to which this plugin object belongs. More... | |
KeyValuePair * | getKeyValuePair (const std::string &sid) |
Get a KeyValuePair from the FbcSBasePlugin based on its identifier. More... | |
const KeyValuePair * | getKeyValuePair (const std::string &sid) const |
Get a KeyValuePair from the FbcSBasePlugin based on its identifier. More... | |
KeyValuePair * | getKeyValuePair (unsigned int n) |
Get a KeyValuePair from the FbcSBasePlugin. More... | |
const KeyValuePair * | getKeyValuePair (unsigned int n) const |
Get a KeyValuePair from the FbcSBasePlugin. More... | |
unsigned int | getLevel () const |
Returns the SBML Level of the package extension of this plugin object. More... | |
ListOfKeyValuePairs * | getListOfKeyValuePairs () |
Returns the ListOfKeyValuePairs from this FbcSBasePlugin. More... | |
const ListOfKeyValuePairs * | getListOfKeyValuePairs () const |
Returns the ListOfKeyValuePairs from this FbcSBasePlugin. More... | |
unsigned int | getNumKeyValuePairs () const |
Get the number of KeyValuePair objects in this FbcSBasePlugin. More... | |
const std::string & | getPackageName () const |
Returns the short-form name of the package to which this plugin object belongs. More... | |
unsigned int | getPackageVersion () const |
Returns the package version of the package extension of this plugin object. More... | |
SBase * | getParentSBMLObject () |
Returns the parent object to which this plugin object is connected. More... | |
const SBase * | getParentSBMLObject () const |
Returns the parent object to which this plugin object is connected. More... | |
const std::string & | getPrefix () const |
Returns the XML namespace prefix of the package to which this plugin object belongs. More... | |
SBMLDocument * | getSBMLDocument () |
Returns the SBMLDocument object containing this object instance. More... | |
const SBMLDocument * | getSBMLDocument () const |
Returns the SBMLDocument object containing this object instance. More... | |
std::string | getURI () const |
Returns the XML namespace URI for the package to which this object belongs. More... | |
unsigned int | getVersion () const |
Returns the Version within the SBML Level of the package extension of this plugin object. More... | |
virtual bool | isSetCharge () const |
Predicate returning true or false depending on whether this FbcSpeciesPlugin's "charge" attribute has been set. More... | |
virtual bool | isSetChemicalFormula () const |
Predicate returning true or false depending on whether this FbcSpeciesPlugin's "chemicalFormula" attribute has been set. More... | |
virtual bool | isValidTypeForList (SBase *item) const |
FbcSpeciesPlugin & | operator= (const FbcSpeciesPlugin &rhs) |
Assignment operator for FbcSpeciesPlugin. More... | |
KeyValuePair * | removeKeyValuePair (const std::string &sid) |
Removes the KeyValuePair from this FbcSBasePlugin based on its identifier and returns a pointer to it. More... | |
KeyValuePair * | removeKeyValuePair (unsigned int n) |
Removes the nth KeyValuePair from this FbcSBasePlugin and returns a pointer to it. More... | |
virtual void | renameMetaIdRefs (const std::string &oldid, const std::string &newid) |
virtual void | renameSIdRefs (const std::string &oldid, const std::string &newid) |
virtual void | renameUnitSIdRefs (const std::string &oldid, const std::string &newid) |
virtual int | setCharge (double charge) |
Sets the value of the "charge" attribute of this FbcSpeciesPlugin. More... | |
virtual int | setCharge (int charge) |
Sets the value of the "charge" attribute of this FbcSpeciesPlugin. More... | |
virtual int | setChemicalFormula (const std::string &chemicalFormula) |
Sets the value of the "chemicalFormula" attribute of this FbcSpeciesPlugin. More... | |
int | setElementNamespace (const std::string &uri) |
Sets the XML namespace to which this object belongs. More... | |
virtual int | unsetCharge () |
Unsets the value of the "charge" attribute of this FbcSpeciesPlugin. More... | |
virtual int | unsetChemicalFormula () |
Unsets the value of the "chemicalFormula" attribute of this FbcSpeciesPlugin. More... | |
virtual | ~FbcSpeciesPlugin () |
Destructor for FbcSpeciesPlugin. More... | |
FbcSpeciesPlugin::FbcSpeciesPlugin | ( | const std::string & | uri, |
const std::string & | prefix, | ||
FbcPkgNamespaces * | fbcns | ||
) |
Creates a new FbcSpeciesPlugin.
FbcSpeciesPlugin::FbcSpeciesPlugin | ( | const FbcSpeciesPlugin & | orig | ) |
Copy constructor for FbcSpeciesPlugin.
orig; | the FbcSpeciesPlugin instance to copy. |
|
virtual |
Destructor for FbcSpeciesPlugin.
|
inherited |
Adds a copy of the given KeyValuePair to this FbcSBasePlugin.
kvp | the KeyValuePair object to add. |
create
) for alternatives that do not lead to these issues.
|
virtual |
Creates and returns a deep copy of this FbcSpeciesPlugin object.
Reimplemented from FbcSBasePlugin.
|
inherited |
Creates a new KeyValuePair object, adds it to this FbcSBasePlugin object and returns the KeyValuePair object created.
|
virtualinherited |
Returns a List of all child SBase objects, including those nested to an arbitrary depth.
filter | an ElementFilter that may impose restrictions on the objects to be retrieved. |
Reimplemented from SBasePlugin.
Reimplemented in FbcReactionPlugin, and FbcModelPlugin.
|
virtual |
doxygenLibsbmlInternal
doxygenLibsbmlInternal doxygenLibsbmlInternal doxygenLibsbmlInternal doxygenLibsbmlInternal
Returns the value of the "charge" attribute of this FbcSpeciesPlugin.
|
virtual |
Returns the value of the "charge" attribute of this FbcSpeciesPlugin.
|
virtual |
Returns the value of the "chemicalFormula" attribute of this FbcSpeciesPlugin.
|
virtualinherited |
Returns the first child element that has the given metaid
, or NULL
if no such object is found.
metaid | a string representing the metaid attribute of the object to retrieve. |
metaid
. If no such object is found this method returns NULL
. Reimplemented from SBasePlugin.
Reimplemented in FbcModelPlugin.
|
virtualinherited |
Returns the first child element that has the given id
in the model-wide SId namespace, or NULL
if no such object is found.
id | a string representing the id attribute of the object to retrieve. |
id
. If no such object is found, this method returns NULL
. Reimplemented from SBasePlugin.
Reimplemented in FbcModelPlugin.
|
inherited |
Returns the namespace URI of the package to which this plugin object belongs.
|
inherited |
Get a KeyValuePair from the FbcSBasePlugin based on its identifier.
sid | a string representing the identifier of the KeyValuePair to retrieve. |
sid
or NULL
if no such KeyValuePair exists.
|
inherited |
Get a KeyValuePair from the FbcSBasePlugin based on its identifier.
sid | a string representing the identifier of the KeyValuePair to retrieve. |
sid
or NULL
if no such KeyValuePair exists.
|
inherited |
Get a KeyValuePair from the FbcSBasePlugin.
n | an unsigned int representing the index of the KeyValuePair to retrieve. |
NULL
if no such object exists.
|
inherited |
Get a KeyValuePair from the FbcSBasePlugin.
n | an unsigned int representing the index of the KeyValuePair to retrieve. |
NULL
if no such object exists.
|
inherited |
Returns the SBML Level of the package extension of this plugin object.
|
inherited |
Returns the ListOfKeyValuePairs from this FbcSBasePlugin.
|
inherited |
Returns the ListOfKeyValuePairs from this FbcSBasePlugin.
|
inherited |
Get the number of KeyValuePair objects in this FbcSBasePlugin.
|
inherited |
Returns the short-form name of the package to which this plugin object belongs.
|
inherited |
Returns the package version of the package extension of this plugin object.
|
inherited |
Returns the parent object to which this plugin object is connected.
|
inherited |
Returns the parent object to which this plugin object is connected.
|
inherited |
Returns the XML namespace prefix of the package to which this plugin object belongs.
|
inherited |
Returns the SBMLDocument object containing this object instance.
This method allows the caller to obtain the SBMLDocument for the current object.
|
inherited |
Returns the SBMLDocument object containing this object instance.
This method allows the caller to obtain the SBMLDocument for the current object.
|
inherited |
Returns the XML namespace URI for the package to which this object belongs.
"http://www.sbml.org/sbml/level3/version1/core"
. Individual SBML Level 3 packages define their own XML namespaces; for example, all elements belonging to the SBML Level 3 Layout Version 1 package must be placed in the XML namespace "http://www.sbml.org/sbml/level3/version1/layout/version1/"
.This method first looks into the SBMLNamespaces object possessed by the parent SBMLDocument object of the current object. If this cannot be found, this method returns the result of getElementNamespace().
|
inherited |
Returns the Version within the SBML Level of the package extension of this plugin object.
|
virtual |
Predicate returning true
or false
depending on whether this FbcSpeciesPlugin's "charge" attribute has been set.
true
if this FbcSpeciesPlugin's "charge" attribute has been set, otherwise false
is returned.
|
virtual |
Predicate returning true
or false
depending on whether this FbcSpeciesPlugin's "chemicalFormula" attribute has been set.
true
if this FbcSpeciesPlugin's "chemicalFormula" attribute has been set, otherwise false
is returned.
|
virtualinherited |
FbcSpeciesPlugin & FbcSpeciesPlugin::operator= | ( | const FbcSpeciesPlugin & | rhs | ) |
Assignment operator for FbcSpeciesPlugin.
rhs; | the object whose values are used as the basis of the assignment |
|
inherited |
Removes the KeyValuePair from this FbcSBasePlugin based on its identifier and returns a pointer to it.
sid | a string representing the identifier of the KeyValuePair to remove. |
|
inherited |
Removes the nth KeyValuePair from this FbcSBasePlugin and returns a pointer to it.
n | an unsigned int representing the index of the KeyValuePair to remove. |
|
virtualinherited |
ID
; the SBML object attribute itself is typically named metaid
. All attributes that hold values referring to values of type ID
are of the XML data type IDREF
. They are also sometimes informally referred to as "metaid refs", in analogy to the SBML-defined type SIdRef
.This method works by looking at all meta-identifier attribute values, comparing the identifiers to the value of oldid
. If any matches are found, the matching identifiers are replaced with newid
. The method does not descend into child elements.
oldid | the old identifier. |
newid | the new identifier. |
|
virtualinherited |
SIdRef
type attribute value with another value.In SBML, object identifiers are of a data type called SId
. In SBML Level 3, an explicit data type called SIdRef
was introduced for attribute values that refer to SId
values; in previous Levels of SBML, this data type did not exist and attributes were simply described to as "referring to an identifier", but the effective data type was the same as SIdRef
in Level 3. These and other methods of libSBML refer to the type SIdRef
for all Levels of SBML, even if the corresponding SBML specification did not explicitly name the data type.
This method works by looking at all attributes and (if appropriate) mathematical formulas in MathML content, comparing the referenced identifiers to the value of oldid
. If any matches are found, the matching values are replaced with newid
. The method does not descend into child elements.
oldid | the old identifier. |
newid | the new identifier. |
Reimplemented in FbcReactionPlugin.
|
virtualinherited |
UnitSIdRef
type attribute value with another value.UnitSId
. In SBML Level 3, an explicit data type called UnitSIdRef
was introduced for attribute values that refer to UnitSId
values; in previous Levels of SBML, this data type did not exist and attributes were simply described to as "referring to a unit identifier", but the effective data type was the same as UnitSIdRef
in Level 3. These and other methods of libSBML refer to the type UnitSIdRef
for all Levels of SBML, even if the corresponding SBML specification did not explicitly name the data type.This method works by looking at all unit identifier attribute values (including, if appropriate, inside mathematical formulas), comparing the referenced unit identifiers to the value of oldid
. If any matches are found, the matching values are replaced with newid
. The method does not descend into child elements.
oldid | the old identifier. |
newid | the new identifier. |
|
virtual |
Sets the value of the "charge" attribute of this FbcSpeciesPlugin.
charge; | double value of the "charge" attribute to be set |
|
virtual |
Sets the value of the "charge" attribute of this FbcSpeciesPlugin.
charge; | int value of the "charge" attribute to be set |
|
virtual |
Sets the value of the "chemicalFormula" attribute of this FbcSpeciesPlugin.
chemicalFormula; | const std::string& value of the "chemicalFormula" attribute to be set |
|
inherited |
Sets the XML namespace to which this object belongs.
"http://www.sbml.org/sbml/level3/version1/core"
. Individual SBML Level 3 packages define their own XML namespaces; for example, all elements belonging to the SBML Level 3 Layout Version 1 package must be placed in the XML namespace "http://www.sbml.org/sbml/level3/version1/layout/version1/"
.uri | the URI to assign to this object. |
|
virtual |
Unsets the value of the "charge" attribute of this FbcSpeciesPlugin.
|
virtual |
Unsets the value of the "chemicalFormula" attribute of this FbcSpeciesPlugin.