Chemical Data Processing Library Python API - Version 1.4.0
Public Member Functions | Properties | List of all members
CDPL.Math.DGrid Class Reference

Unbounded dense grid storing floating point values of type double. More...

+ Inheritance diagram for CDPL.Math.DGrid:

Public Member Functions

None __init__ ()
 Constructs an empty grid (zero size on every axis).
 
None __init__ (DGrid g)
 Move-constructs a grid from g (g is left in a valid empty state). More...
 
None __init__ (int m, int n, int o)
 Constructs an m × n × o grid with default-initialized elements. More...
 
None __init__ (int m, int n, int o, float v)
 Constructs an m × n × o grid with every element initialized to v. More...
 
None __init__ (ConstFGridExpression e)
 Initializes the DGrid instance. More...
 
None __init__ (ConstDGridExpression e)
 Initializes the DGrid instance. More...
 
None __init__ (object e)
 Initializes the DGrid instance. More...
 
None resize (int m, int n, int o, bool preserve=True, float v=0.0)
 Resizes the grid to \( m \times n \times o \) cells. More...
 
None clear (float v=0.0)
 Sets every cell of the grid to the value v. More...
 
int getObjectID ()
 Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
 
DGrid assign (ConstFGridExpression e)
 Resizes this grid to match e and assigns its cells without intermediate temporary. More...
 
DGrid assign (ConstDGridExpression e)
 Resizes this grid to match e and assigns its cells without intermediate temporary. More...
 
DGrid assign (object e)
 Resizes this grid to match e and assigns its cells without intermediate temporary. More...
 
DGrid assign (DGrid g)
 Move-assigns the contents of g to this grid. More...
 
int getSize1 ()
 Returns the first-axis size. More...
 
int getSize2 ()
 Returns the second-axis size. More...
 
int getSize3 ()
 Returns the third-axis size. More...
 
bool isEmpty ()
 Tells whether the grid is empty. More...
 
float getElement (int i, int j, int k)
 
float getElement (int i)
 
object toArray ()
 
int getSize ()
 Returns the total cell count \( \mathrm{size}_1 \cdot \mathrm{size}_2 \cdot \mathrm{size}_3 \). More...
 
None swap (DGrid g)
 Swaps the contents of this grid with those of g. More...
 
None setElement (int i, int j, int k, float v)
 
None setElement (int i, float v)
 
float __call__ (int i, int j, int k)
 Returns a reference to the element at (i, j, k). More...
 
float __call__ (int i)
 Returns a reference to the element at linear index i. More...
 
float __getitem__ (tuple ijk)
 
float __getitem__ (int i)
 
int __len__ ()
 
bool __eq__ (DGrid g)
 Returns the result of the comparison operation self == g. More...
 
bool __eq__ (ConstDGridExpression e)
 Returns the result of the comparison operation self == e. More...
 
bool __ne__ (DGrid g)
 Returns the result of the comparison operation self != g. More...
 
bool __ne__ (ConstDGridExpression e)
 Returns the result of the comparison operation self != e. More...
 
str __str__ ()
 Returns a string representation of the DGrid instance. More...
 
DGrid __pos__ ()
 
ConstDGridExpression __neg__ ()
 
ConstDGridExpression __add__ (ConstDGridExpression e)
 Returns the result of the addition operation self + e. More...
 
ConstDGridExpression __sub__ (ConstDGridExpression e)
 Returns the result of the subtraction operation self - e. More...
 
ConstDGridExpression __mul__ (float t)
 Returns the result of the multiplication operation self * t. More...
 
ConstDGridExpression __div__ (float t)
 Returns the result of the division operation self // t. More...
 
ConstDGridExpression __truediv__ (float t)
 Returns the result of the true division operation self / t. More...
 
ConstDGridExpression __rmul__ (float t)
 Returns the result of the multiplication operation t * self. More...
 
None __setitem__ (tuple ijk, float v)
 
None __setitem__ (int i, float v)
 
DGrid __iadd__ (DGrid g)
 Performs the in-place addition operation self += g. More...
 
DGrid __iadd__ (ConstDGridExpression e)
 Performs the in-place addition operation self += e. More...
 
DGrid __isub__ (DGrid g)
 Performs the in-place subtraction operation self -= g. More...
 
DGrid __isub__ (ConstDGridExpression e)
 Performs the in-place subtraction operation self -= e. More...
 
DGrid __imul__ (float t)
 Performs the in-place multiplication operation self *= t. More...
 
DGrid __idiv__ (float t)
 Performs the in-place division operation self /= t. More...
 
DGrid __itruediv__ (float t)
 

Properties

 objectID = property(getObjectID)
 
 size1 = property(getSize1)
 
 size2 = property(getSize2)
 
 size3 = property(getSize3)
 

Detailed Description

Unbounded dense grid storing floating point values of type double.

Constructor & Destructor Documentation

◆ __init__() [1/6]

None CDPL.Math.DGrid.__init__ ( DGrid  g)

Move-constructs a grid from g (g is left in a valid empty state).

Parameters
gThe grid to move from.

◆ __init__() [2/6]

None CDPL.Math.DGrid.__init__ ( int  m,
int  n,
int  o 
)

Constructs an m × n × o grid with default-initialized elements.

Parameters
mThe size along the first axis.
nThe size along the second axis.
oThe size along the third axis.

◆ __init__() [3/6]

None CDPL.Math.DGrid.__init__ ( int  m,
int  n,
int  o,
float  v 
)

Constructs an m × n × o grid with every element initialized to v.

Parameters
mThe size along the first axis.
nThe size along the second axis.
oThe size along the third axis.
vThe element value used to initialize every cell.

◆ __init__() [4/6]

None CDPL.Math.DGrid.__init__ ( ConstFGridExpression  e)

Initializes the DGrid instance.

Parameters
e

◆ __init__() [5/6]

None CDPL.Math.DGrid.__init__ ( ConstDGridExpression  e)

Initializes the DGrid instance.

Parameters
e

◆ __init__() [6/6]

None CDPL.Math.DGrid.__init__ ( object  e)

Initializes the DGrid instance.

Parameters
e

Member Function Documentation

◆ resize()

None CDPL.Math.DGrid.resize ( int  m,
int  n,
int  o,
bool   preserve = True,
float   v = 0.0 
)

Resizes the grid to \( m \times n \times o \) cells.

Parameters
mThe new first-axis size.
nThe new second-axis size.
oThe new third-axis size.
preserveIf True, existing cell values at indices that remain valid are kept. If False, all cells are set to v.
vThe fill value for newly added cells (or for all cells when preserve is False).

◆ clear()

None CDPL.Math.DGrid.clear ( float   v = 0.0)

Sets every cell of the grid to the value v.

Parameters
vThe fill value.

◆ getObjectID()

int CDPL.Math.DGrid.getObjectID ( )

Returns the numeric identifier (ID) of the wrapped C++ class instance.

Different Python DGrid instances may reference the same underlying C++ class instance. The commonly used Python expression a is not b thus cannot tell reliably whether the two DGrid instances a and b reference different C++ objects. The numeric identifier returned by this method allows to correctly implement such an identity test via the simple expression a.getObjectID() != b.getObjectID().

Returns
The numeric ID of the internally referenced C++ class instance.

◆ assign() [1/4]

DGrid CDPL.Math.DGrid.assign ( ConstFGridExpression  e)

Resizes this grid to match e and assigns its cells without intermediate temporary.

Parameters
eThe source grid expression.
Returns
self

◆ assign() [2/4]

DGrid CDPL.Math.DGrid.assign ( ConstDGridExpression  e)

Resizes this grid to match e and assigns its cells without intermediate temporary.

Parameters
eThe source grid expression.
Returns
self

◆ assign() [3/4]

DGrid CDPL.Math.DGrid.assign ( object  e)

Resizes this grid to match e and assigns its cells without intermediate temporary.

Parameters
eThe source grid expression.
Returns
self

◆ assign() [4/4]

DGrid CDPL.Math.DGrid.assign ( DGrid  g)

Move-assigns the contents of g to this grid.

Parameters
gThe source grid (left in a valid but unspecified state).
Returns
self

◆ getSize1()

int CDPL.Math.DGrid.getSize1 ( )

Returns the first-axis size.

Returns
The size along the first axis.

◆ getSize2()

int CDPL.Math.DGrid.getSize2 ( )

Returns the second-axis size.

Returns
The size along the second axis.

◆ getSize3()

int CDPL.Math.DGrid.getSize3 ( )

Returns the third-axis size.

Returns
The size along the third axis.

◆ isEmpty()

bool CDPL.Math.DGrid.isEmpty ( )

Tells whether the grid is empty.

Returns
True if the underlying storage holds no elements, and False otherwise.

◆ getElement() [1/2]

float CDPL.Math.DGrid.getElement ( int  i,
int  j,
int  k 
)
Parameters
i
j
k
Returns

◆ getElement() [2/2]

float CDPL.Math.DGrid.getElement ( int  i)
Parameters
i
Returns

◆ toArray()

object CDPL.Math.DGrid.toArray ( )
Returns

◆ getSize()

int CDPL.Math.DGrid.getSize ( )

Returns the total cell count \( \mathrm{size}_1 \cdot \mathrm{size}_2 \cdot \mathrm{size}_3 \).

Returns
The total number of cells.

◆ swap()

None CDPL.Math.DGrid.swap ( DGrid  g)

Swaps the contents of this grid with those of g.

Parameters
gThe grid to swap with.

◆ setElement() [1/2]

None CDPL.Math.DGrid.setElement ( int  i,
int  j,
int  k,
float  v 
)
Parameters
i
j
k
v

◆ setElement() [2/2]

None CDPL.Math.DGrid.setElement ( int  i,
float  v 
)
Parameters
i
v

◆ __call__() [1/2]

float CDPL.Math.DGrid.__call__ ( int  i,
int  j,
int  k 
)

Returns a reference to the element at (i, j, k).

Parameters
iThe zero-based first-axis index.
jThe zero-based second-axis index.
kThe zero-based third-axis index.
Returns
A reference to the cell.
Exceptions
Base.IndexErrorif any of the indices is out of range.

◆ __call__() [2/2]

float CDPL.Math.DGrid.__call__ ( int  i)

Returns a reference to the element at linear index i.

Parameters
iThe zero-based linear index.
Returns
A reference to the cell.
Exceptions
Base.IndexErrorif i is out of range.

◆ __getitem__() [1/2]

float CDPL.Math.DGrid.__getitem__ ( tuple  ijk)
Parameters
ijk
Returns

◆ __getitem__() [2/2]

float CDPL.Math.DGrid.__getitem__ ( int  i)
Parameters
i
Returns

◆ __len__()

int CDPL.Math.DGrid.__len__ ( )
Returns

◆ __eq__() [1/2]

bool CDPL.Math.DGrid.__eq__ ( DGrid  g)

Returns the result of the comparison operation self == g.

Parameters
gThe DGrid instance to be compared with.
Returns
The result of the comparison operation.

◆ __eq__() [2/2]

bool CDPL.Math.DGrid.__eq__ ( ConstDGridExpression  e)

Returns the result of the comparison operation self == e.

Parameters
eThe ConstDGridExpression instance to be compared with.
Returns
The result of the comparison operation.

◆ __ne__() [1/2]

bool CDPL.Math.DGrid.__ne__ ( DGrid  g)

Returns the result of the comparison operation self != g.

Parameters
gThe DGrid instance to be compared with.
Returns
The result of the comparison operation.

◆ __ne__() [2/2]

bool CDPL.Math.DGrid.__ne__ ( ConstDGridExpression  e)

Returns the result of the comparison operation self != e.

Parameters
eThe ConstDGridExpression instance to be compared with.
Returns
The result of the comparison operation.

◆ __str__()

str CDPL.Math.DGrid.__str__ ( )

Returns a string representation of the DGrid instance.

Returns
The generated string representation.

◆ __pos__()

DGrid CDPL.Math.DGrid.__pos__ ( )
Returns

◆ __neg__()

ConstDGridExpression CDPL.Math.DGrid.__neg__ ( )
Returns

◆ __add__()

ConstDGridExpression CDPL.Math.DGrid.__add__ ( ConstDGridExpression  e)

Returns the result of the addition operation self + e.

Parameters
eSpecifies the second addend.
Returns
A ConstDGridExpression instance holding the result of the addition.

◆ __sub__()

ConstDGridExpression CDPL.Math.DGrid.__sub__ ( ConstDGridExpression  e)

Returns the result of the subtraction operation self - e.

Parameters
eSpecifies the subtrahend.
Returns
A DGrid instance holding the result of the subtraction.

◆ __mul__()

ConstDGridExpression CDPL.Math.DGrid.__mul__ ( float  t)

Returns the result of the multiplication operation self * t.

Parameters
tSpecifies the multiplier.
Returns
A ConstDGridExpression instance holding the result of the multiplication.

◆ __div__()

ConstDGridExpression CDPL.Math.DGrid.__div__ ( float  t)

Returns the result of the division operation self // t.

Parameters
tSpecifies the divisor.
Returns
A ConstDGridExpression instance holding the result of the division.

◆ __truediv__()

ConstDGridExpression CDPL.Math.DGrid.__truediv__ ( float  t)

Returns the result of the true division operation self / t.

Parameters
tSpecifies the divisor.
Returns
A ConstDGridExpression instance holding the result of the division.

◆ __rmul__()

ConstDGridExpression CDPL.Math.DGrid.__rmul__ ( float  t)

Returns the result of the multiplication operation t * self.

Parameters
tSpecifies the multiplicand.
Returns
A ConstDGridExpression instance holding the result of the multiplication.

◆ __setitem__() [1/2]

None CDPL.Math.DGrid.__setitem__ ( tuple  ijk,
float  v 
)
Parameters
ijk
v

◆ __setitem__() [2/2]

None CDPL.Math.DGrid.__setitem__ ( int  i,
float  v 
)
Parameters
i
v

◆ __iadd__() [1/2]

DGrid CDPL.Math.DGrid.__iadd__ ( DGrid  g)

Performs the in-place addition operation self += g.

Parameters
gSpecifies the second addend.
Returns
The updated DGrid instance self.

◆ __iadd__() [2/2]

DGrid CDPL.Math.DGrid.__iadd__ ( ConstDGridExpression  e)

Performs the in-place addition operation self += e.

Parameters
eSpecifies the second addend.
Returns
The updated DGrid instance self.

◆ __isub__() [1/2]

DGrid CDPL.Math.DGrid.__isub__ ( DGrid  g)

Performs the in-place subtraction operation self -= g.

Parameters
gSpecifies the subtrahend.
Returns
The updated DGrid instance self.

◆ __isub__() [2/2]

DGrid CDPL.Math.DGrid.__isub__ ( ConstDGridExpression  e)

Performs the in-place subtraction operation self -= e.

Parameters
eSpecifies the subtrahend.
Returns
The updated DGrid instance self.

◆ __imul__()

DGrid CDPL.Math.DGrid.__imul__ ( float  t)

Performs the in-place multiplication operation self *= t.

Parameters
tSpecifies the multiplier.
Returns
The updated DGrid instance self.

◆ __idiv__()

DGrid CDPL.Math.DGrid.__idiv__ ( float  t)

Performs the in-place division operation self /= t.

Parameters
tSpecifies the divisor.
Returns
The updated DGrid instance self.

◆ __itruediv__()

DGrid CDPL.Math.DGrid.__itruediv__ ( float  t)
Parameters
t
Returns