The Gnome Chemistry Utils 0.13.3
Public Types | Public Member Functions
gcp::Fragment Class Reference

Atoms groups. More...

#include <gcp/fragment.h>

Inheritance diagram for gcp::Fragment:
gcp::TextObject gcu::Object gccv::TextClient gccv::ItemClient

List of all members.

Public Types

enum  Validity { Invalid, Valid, Valid2D, Valid3D }
 The validity state of a Fragment as it is currently evaluated by the framework. The 0.12.x version don't do anything useful with it and all Fragment instances are invalid. More...
enum  FragmentMode {
  AutoMode, NormalMode, SubscriptMode, SuperscriptMode,
  ChargeMode, StoichiometryMode
}
 Edition mode. More...

Public Member Functions

 Fragment ()
 Fragment (double x, double y)
virtual ~Fragment ()
void AddItem ()
void UpdateItem ()
void SetSelected (int state)
xmlNodePtr Save (xmlDocPtr xml) const
xmlNodePtr SaveSelection (xmlDocPtr xml) const
bool Load (xmlNodePtr node)
bool OnChanged (bool save)
void AnalContent ()
void AnalContent (unsigned start, unsigned &end)
Object * GetAtomAt (double x, double y, double z=0.)
void Move (double x, double y, double z=0)
void Transform2D (gcu::Matrix2D &m, double x, double y)
void OnChangeAtom ()
AtomGetAtom ()
int GetElementAtPos (unsigned start, unsigned &end)
gccv::Anchor GetChargePosition (FragmentAtom *pAtom, unsigned char &Pos, double Angle, double &x, double &y)
int GetAvailablePosition (double &x, double &y)
bool GetPosition (double angle, double &x, double &y)
bool Validate ()
double GetYAlign ()
bool SetProperty (unsigned property, char const *value)
bool Analyze ()
void Update ()
gccv::ItemGetChargeItem ()
std::string Name ()
bool GetCoords (double *x, double *y, double *z=NULL) const
Validity GetValid (void) const
void SetMode (FragmentMode val)
FragmentMode GetMode (void) const
FragmentModeGetRefMode (void)

Detailed Description

Atoms groups.

Represents atoms groups displayed as a string. Currntly, the string is not fully parsed, so that some non sense strings might be accepted. Anyway, this will not always be the case in the future.

Definition at line 109 of file fragment.h.


Member Enumeration Documentation

Edition mode.

Current edition mode for the fragment. Used to know how inserted symbolds need to be interpreted.

Enumerator:
AutoMode 

Automatic mode, try to guess what each new symbol represent.

NormalMode 

New characters are aligned on the base line.

SubscriptMode 

New characters are subscripts, but are not related to stoichiometry.

SuperscriptMode 

New characters are superscripts, but are not related to charge.

ChargeMode 

New characters are interpreted as charge and superscript.

StoichiometryMode 

New characters are interpreted as stoichiometry and subscript.

Definition at line 343 of file fragment.h.

The validity state of a Fragment as it is currently evaluated by the framework. The 0.12.x version don't do anything useful with it and all Fragment instances are invalid.

Enumerator:
Invalid 

Invalid Fragment or validity not checked.

Valid 

Valid Fragment, all symbols in the string can be interpreted.

Valid2D 

Valid Fragment, with a known and reasonable 2D structure.

Valid3D 

Valid Fragment, with a known and reasonable 3D structure.

Definition at line 318 of file fragment.h.


Constructor & Destructor Documentation

gcp::Fragment::Fragment ( )

The default constructor.

gcp::Fragment::Fragment ( double  x,
double  y 
)
Parameters:
xthe x position of the new fragment.
ythe y position of the new fragment.

Constructs a new fragment and position it. x and y are the position of the main atom or residue in the fragment.

virtual gcp::Fragment::~Fragment ( ) [virtual]

The destructor.


Member Function Documentation

void gcp::Fragment::AddItem ( ) [virtual]

Used to add a representation of the fragment in the view.

Reimplemented from gccv::ItemClient.

void gcp::Fragment::AnalContent ( )

Analyses the whole contents.

void gcp::Fragment::AnalContent ( unsigned  start,
unsigned &  end 
)
Parameters:
startthe start fo the substring to parse, in bytes.
endthe end fo the substring to parse, in bytes.

Analyses a substring.

bool gcp::Fragment::Analyze ( )

Analyses the text in the fragment. This calls gcp::Fragment::AnalContent() and updates the attribute list.

Atom* gcp::Fragment::GetAtom ( ) [inline]
Returns:
the main atom, which might have a bond.

Definition at line 217 of file fragment.h.

Object* gcp::Fragment::GetAtomAt ( double  x,
double  y,
double  z = 0. 
) [virtual]
Parameters:
xthe x coordinate
ythe y coordinate
zthe z coordinate (unused)
Returns:
a pointer to the Atom correpoding to the symbol at or near the position defined by the coordinates passed as parameters, if any.

Reimplemented from gcu::Object.

int gcp::Fragment::GetAvailablePosition ( double &  x,
double &  y 
)
Parameters:
xthe x position.
ythe y position.

This method finds an available position for drawing a charge sign or electrons and returns it as a symbolic value (see POSITION_E, POSITION_N,...). The x and y are updated so that they give the absolute position.

Returns:
an available position.
gccv::Item* gcp::Fragment::GetChargeItem ( )
Returns:
the gccv::Item used to represent the formal charge of the main atom.
gccv::Anchor gcp::Fragment::GetChargePosition ( FragmentAtom pAtom,
unsigned char &  Pos,
double  Angle,
double &  x,
double &  y 
)
Parameters:
pAtomthe main atom which will get the local charge.
Posthe approximate position of the charge.
Anglethe angle from horizontal left.
xthe x position of the charge symbol.
ythe y position of the charge symbol.

If pAtom is not the main atom of the fragment, 0 is returned and Pos is not updated. On input Pos can be one of POSITION_E, POSITION_N,... or 0xff, in which case, it will be given a default value. x and y are set to the position where the charge sign should be displayed usding the alignment code returned by this method.

Returns:
the anchor for the charge symbol. On error, gccv::AnchorCenter is used as the returned value.
bool gcp::Fragment::GetCoords ( double *  x,
double *  y,
double *  z = NULL 
) const [virtual]
Parameters:
xa pointer to the double value which will receive the x coordinate of the Fragment.
ya pointer to the double value which will receive the y coordinate of the Fragment.
za pointer to the double value which will receive the z coordinate of the Fragment or NULL for 2D representations.

Retrieves the coordinates of this Arrow.

Returns:
true if successful and false if an error occurs (if x or y is NULL).

Reimplemented from gcu::Object.

int gcp::Fragment::GetElementAtPos ( unsigned  start,
unsigned &  end 
)
Parameters:
startthe start position of the atomic symbol.
endthe end position of the atomic symbol.
Returns:
the atomic number corresponding to the symbol starting at start, if any, or 0. end is updated accordingly.
gcp::Fragment::GetMode ( void  ) const [inline]
Returns:
the current edition mode for the Fragment instance.

Definition at line 395 of file fragment.h.

bool gcp::Fragment::GetPosition ( double  angle,
double &  x,
double &  y 
)
Parameters:
anglethe angle at which a charge sign should be displayed.
xthe x position.
ythe y position.
Returns:
false and do not update the coordinates.
gcp::Fragment::GetRefMode ( void  ) [inline]
Returns:
the current edition mode for the Fragment instance as a reference.

Definition at line 395 of file fragment.h.

gcp::Fragment::GetValid ( void  ) const [inline]
Returns:
the current Fragment::Validity for the Fragment instance.

Definition at line 383 of file fragment.h.

double gcp::Fragment::GetYAlign ( ) [virtual]
Returns:
the y coordinate at half height of a carbon atom symbol if any was present.

Reimplemented from gcu::Object.

bool gcp::Fragment::Load ( xmlNodePtr  node) [virtual]
Parameters:
nodea pointer to the xmlNode containing the serialized fragment.

Used to load a fragment in memory. The Fragment must already exist.

Returns:
true on succes, false otherwise.

Reimplemented from gcp::TextObject.

void gcp::Fragment::Move ( double  x,
double  y,
double  z = 0 
) [virtual]
Parameters:
xthe x component of the transation vector.
ythe y component of the transation vector.
zthe z component of the transation vector.

Moves the fragment.

Reimplemented from gcp::TextObject.

std::string gcp::Fragment::Name ( ) [virtual]
Returns:
the localized object generic name.

Reimplemented from gcu::Object.

void gcp::Fragment::OnChangeAtom ( )

Called by the framework when the user changes the nature of an atom using the element tool.

bool gcp::Fragment::OnChanged ( bool  save) [virtual]
Parameters:
savewhether the text should be saved for undo/redo operations.

Called after any change in the text.

Implements gcp::TextObject.

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

Used to save the fragment to the xmlDoc.

Returns:
the xmlNode containing the serialized fragment.

Reimplemented from gcu::Object.

xmlNodePtr gcp::Fragment::SaveSelection ( xmlDocPtr  xml) const
Parameters:
xmlthe xmlDoc used for clipboard operations.

Saves the currently selected text inside the fragment. This method is used by the framework when editing the fragment.

Returns:
the xmlNode containing the serialized selection.
gcp::Fragment::SetMode ( FragmentMode  mode) [inline]
Parameters:
modethe nexw edition mode.

Sets the current edition mode for the Fragment instance.

Definition at line 395 of file fragment.h.

bool gcp::Fragment::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 properties for the fragment. This method supports GCU_PROP_POS2D, GCU_PROP_TEXT_TEXT, GCU_PROP_FRAGMENT_ATOM_START, and GCU_PROP_FRAGMENT_ATOM_ID.

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

Reimplemented from gcu::Object.

void gcp::Fragment::SetSelected ( int  state) [virtual]
Parameters:
statethe selection state of the fragment.

Used to set the selection state of the fragment inside the widget. The values of state might be gcp::SelStateUnselected, gcp::SelStateSelected, gcp::SelStateUpdating, or gcp::SelStateErasing.

Reimplemented from gccv::ItemClient.

void gcp::Fragment::Transform2D ( gcu::Matrix2D m,
double  x,
double  y 
) [virtual]
Parameters:
mthe Matrix2D of the transformation.
xthe x component of the center of the transformation.
ythe y component of the center of the transformation.

Moves and/or transform an object.

Reimplemented from gcu::Object.

void gcp::Fragment::Update ( )

Changes the order of the symbols if necessary when a bond is at an extremity of the fragment.

void gcp::Fragment::UpdateItem ( ) [virtual]

Used to update a representation of the fragment in the view.

Reimplemented from gccv::ItemClient.

bool gcp::Fragment::Validate ( )

Validates the contents of the fragment text, and display error messages when necessary.


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