The Gnome Chemistry Utils  0.14.17
Public Member Functions | List of all members
gcp::Reactant Class Reference

Class for reactants and products of a chemical reaction. More...

#include <gcp/reactant.h>

Inheritance diagram for gcp::Reactant:
gcu::Object

Public Member Functions

 Reactant ()
 
virtual ~Reactant ()
 
 Reactant (ReactionStep *step, gcu::Object *object) throw (std::invalid_argument)
 
virtual xmlNodePtr Save (xmlDocPtr xml) const
 
virtual bool Load (xmlNodePtr node)
 
unsigned GetStoichiometry () const
 
void SetStoichiometry (unsigned coef)
 
virtual double GetYAlign ()
 
bool BuildContextualMenu (gcu::UIManager *UIManager, gcu::Object *object, double x, double y)
 
bool OnSignal (gcu::SignalId Signal, gcu::Object *Child)
 
void AddStoichiometry ()
 
void AddStoichiometry (gcp::Text *stoichiometry)
 
gcu::ObjectGetChild ()
 
gcu::Object const * GetChild () const
 
gcu::ObjectGetStoichChild ()
 
void SetMolecule (gcu::Object *molecule)
 
std::string GetProperty (unsigned property) const
 
bool SetProperty (unsigned property, char const *value)
 
std::string Name ()
 
- Public Member Functions inherited from gcu::Object
 Object (TypeId Id=OtherType)
 
virtual ~Object ()
 
TypeId GetType () const
 
void SetId (gchar const *Id)
 
char const * GetId () const
 
virtual void AddChild (Object *object)
 
ObjectGetMolecule () const
 
ObjectGetReaction () const
 
ObjectGetGroup () const
 
DocumentGetDocument () const
 
ApplicationGetApplication () const
 
ObjectGetParentOfType (TypeId Id) const
 
ObjectGetChild (const gchar *Id) const
 
ObjectGetFirstChild (std::map< std::string, Object *>::iterator &i)
 
ObjectGetNextChild (std::map< std::string, Object *>::iterator &i)
 
ObjectGetDescendant (const char *Id) const
 
ObjectGetParent () const
 
void SetParent (Object *Parent)
 
virtual bool GetCoords (double *x, double *y, double *z=NULL) const
 
virtual void Move (double x, double y, double z=0.)
 
virtual void Transform2D (Matrix2D &m, double x, double y)
 
bool SaveChildren (xmlDocPtr xml, xmlNodePtr node) const
 
void SaveId (xmlNodePtr node) const
 
xmlNodePtr GetNodeByProp (xmlNodePtr node, char const *Property, char const *Id)
 
xmlNodePtr GetNextNodeByProp (xmlNodePtr node, char const *Property, char const *Id)
 
xmlNodePtr GetNodeByName (xmlNodePtr node, char const *Name)
 
xmlNodePtr GetNextNodeByName (xmlNodePtr node, char const *Name)
 
bool HasChildren () const
 
unsigned GetChildrenNumber () const
 
virtual ObjectGetAtomAt (double x, double y, double z=0.)
 
virtual bool Build (std::set< Object * > const &Children) throw (std::invalid_argument)
 
void EmitSignal (SignalId Signal)
 
void Lock (bool state=true)
 
bool IsLocked ()
 
ObjectGetFirstLink (std::set< Object *>::iterator &i)
 
ObjectGetNextLink (std::set< Object *>::iterator &i)
 
void Link (Object *object)
 
void Unlink (Object *object)
 
virtual void OnUnlink (Object *object)
 
void GetPossibleAncestorTypes (std::set< TypeId > &types) const
 
virtual void OnLoaded ()
 
void SetDirty (bool dirty=true)
 
virtual void Clear ()
 
std::string Identity ()
 
virtual char const * HasPropertiesDialog () const
 
virtual bool CanSelect () const
 
virtual void NotifyEmpty ()
 
void ShowPropertiesDialog ()
 
bool GetDirty (void) const
 

Additional Inherited Members

- Static Public Member Functions inherited from gcu::Object
static TypeId AddType (std::string TypeName, Object *(*CreateFunc)(), TypeId id=OtherType)
 
static void AddAlias (TypeId id, std::string TypeName)
 
static ObjectCreateObject (const std::string &TypeName, Object *parent=NULL)
 
static TypeId GetTypeId (const std::string &Name)
 
static std::string GetTypeName (TypeId Id)
 
static void AddMenuCallback (TypeId Id, BuildMenuCb cb)
 
static void AddRule (TypeId type1, RuleId rule, TypeId type2)
 
static void AddRule (const std::string &type1, RuleId rule, const std::string &type2)
 
static const std::set< TypeId > & GetRules (TypeId type, RuleId rule)
 
static const std::set< TypeId > & GetRules (const std::string &type, RuleId rule)
 
static void SetCreationLabel (TypeId Id, std::string Label)
 
static const std::string & GetCreationLabel (TypeId Id)
 
static const std::string & GetCreationLabel (const std::string &TypeName)
 
static SignalId CreateNewSignalId ()
 
- Protected Member Functions inherited from gcu::Object
virtual DialogBuildPropertiesDialog ()
 

Detailed Description

Class for reactants and products of a chemical reaction.

Objects of these class embed either a molecule or a text representing a reactant or a product for a chemical reaction. They can have a stoichiometry coefficient.

Definition at line 47 of file reactant.h.

Constructor & Destructor Documentation

◆ Reactant() [1/2]

gcp::Reactant::Reactant ( )

The default constructor.

◆ ~Reactant()

virtual gcp::Reactant::~Reactant ( )
virtual

The destructor.

◆ Reactant() [2/2]

gcp::Reactant::Reactant ( ReactionStep step,
gcu::Object object 
)
throw (std::invalid_argument
)
Parameters
stepthe parent reaction step.
objectthe molecule formula or text to use as reactant.

Member Function Documentation

◆ AddStoichiometry() [1/2]

void gcp::Reactant::AddStoichiometry ( )

Adds a text item to display the reactants stoichiometry coefficient. This coefficient does not need to be an integer, but should always be positive.

◆ AddStoichiometry() [2/2]

void gcp::Reactant::AddStoichiometry ( gcp::Text stoichiometry)
Parameters
stoichiometrythe text to use as stoichiometry coefficient. Adds a text item to display the reactants stoichiometry coefficient. This coefficient does not need to be an integer, but should always be positive.

◆ BuildContextualMenu()

bool gcp::Reactant::BuildContextualMenu ( gcu::UIManager UIManager,
gcu::Object object,
double  x,
double  y 
)
virtual
Parameters
UIManagerthe gcu::UIManager to populate.
objectthe Object on which occured the mouse click.
xx coordinate of the mouse click.
yy coordinate of the mouse click.

This method is called to build a contextual menu for the reactant.

Returns
true if something is added to the UIManager, false otherwise.

Reimplemented from gcu::Object.

◆ GetChild() [1/2]

gcu::Object* gcp::Reactant::GetChild ( )
inline
Returns
the molecule or text embedded in this instance.

Definition at line 132 of file reactant.h.

◆ GetChild() [2/2]

gcu::Object const* gcp::Reactant::GetChild ( ) const
inline
Returns
the molecule or text embedded in this instance.

Definition at line 136 of file reactant.h.

◆ GetProperty()

std::string gcp::Reactant::GetProperty ( unsigned  property) const
virtual
Parameters
propertythe identity of the property as defined in objprops.h.

Used by the gcu::Loader mechanism to retrieve properties of mesomers.

Returns
the value of the property as a string.

Reimplemented from gcu::Object.

◆ GetStoichChild()

gcu::Object* gcp::Reactant::GetStoichChild ( )
inline
Returns
the text representing the stoichiometry coefficient of this instance.

Definition at line 140 of file reactant.h.

◆ GetStoichiometry()

unsigned gcp::Reactant::GetStoichiometry ( ) const
inline
Returns
the reactants stoichiometry coefficient.

Definition at line 84 of file reactant.h.

◆ GetYAlign()

virtual double gcp::Reactant::GetYAlign ( )
virtual

Used to retrieve the y coordinate for alignment.

Returns
y coordinate used for reactant alignment.

Reimplemented from gcu::Object.

◆ Load()

virtual bool gcp::Reactant::Load ( xmlNodePtr  node)
virtual
Parameters
nodea pointer to the xmlNode containing the serialized reactant.

Used to load a reactant in memory. The Reactant instance must already exist.

Returns
true on succes, false otherwise.

Reimplemented from gcu::Object.

◆ Name()

std::string gcp::Reactant::Name ( )
virtual
Returns
the localized object generic name.

Reimplemented from gcu::Object.

◆ OnSignal()

bool gcp::Reactant::OnSignal ( gcu::SignalId  Signal,
gcu::Object Child 
)
virtual
Parameters
Signalthe appropriate SignalId
Childthe child which emitted the signal or NULL

This function is called by the framework when a signal has been emitted for the reactant, when the embedded text or molecule changed. It should not be called by a program; call Object::EmitSignal instead.

Returns
true to propagate the signal to the parent.

Reimplemented from gcu::Object.

◆ Save()

virtual xmlNodePtr gcp::Reactant::Save ( xmlDocPtr  xml) const
virtual
Parameters
xmlthe xmlDoc used to save the document.

Used to save the reactant to the xmlDoc.

Returns
the xmlNode containing the serialized reactant.

Reimplemented from gcu::Object.

◆ SetMolecule()

void gcp::Reactant::SetMolecule ( gcu::Object molecule)
Parameters
childthe reagent molecule Sets the reagent molecule.

◆ SetProperty()

bool gcp::Reactant::SetProperty ( unsigned  property,
char const *  value 
)
virtual
Parameters
propertythe property id as defined in objprops.h
valuethe property value as a string

Used when loading to set common properties to mesomers. Currently supported property are: GCU_PROP_STOICHIOMETRY, GCU_PROP_MOLECULE.

Returns
true if the property could be set, or if the property is not relevant, false otherwise.

Reimplemented from gcu::Object.

◆ SetStoichiometry()

void gcp::Reactant::SetStoichiometry ( unsigned  coef)
inline
Parameters
coefthe new stoichiometry coefficient.

Sets the stoichiometry coefficient for the reactant.

Definition at line 90 of file reactant.h.


The documentation for this class was generated from the following file: