Docs For Class Science_Chemistry

Science_Chemistry_Atom (Constructor) [line 65]

object Science_Chemistry_Atom Science_Chemistry_Atom(
string
$element, [optional
$coords = ""])

Constructor for the class, requires the element symbol and an optional array of coordinates

See: Science_Chemistry_Atom::setCoordinates()
Access: public

Parameters:

string	`$element`	—	chemical symbol
optional	`$coords`	—	array $coords array of coordinates (x, y, z)

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distance [line 119]

float distance(
object Science_Chemistry_Atom
$atom2)

Calculates the cartesian distance from this atom instance to another

Return: distance
Access: public

Parameters:

object Science_Chemistry_Atom $atom2 —

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getCoordinates [line 107]

object Science_Chemistry_Coordinates getCoordinates(
)

Returns the coordinates object for the atom

See: $xyz;
Access: public

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getElement [line 95]

string getElement(
)

Returns the chemical symbol for the atom

See: $element;
Access: public

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isAtom [line 134]

boolean isAtom(
object Science_Chemistry_Atom
$obj)

Checks if the object is an instance of Science_Chemistry_Atom

Access: public

Parameters:

object Science_Chemistry_Atom $obj —

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setCoordinates [line 82]

boolean setCoordinates(
array
$coords)

Sets the coordinates for the atom object

Access: public

Parameters:

array $coords — array of coordinates (x, y, z)

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toCML [line 173]

string toCML(
[optional
$id = 1])

Returns a CML representation of the Science_Chemistry_Atom object Accepts an optional id

Access: public

Parameters:

optional $id — string $id

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toString [line 149]

string toString(
)

Returns a string representation of the Science_Chemistry_Atom object Alias of toXYZ()

See: Science_Chemistry_Atom::toXYZ()
Access: public

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toXYZ [line 160]

string toXYZ(
)

Returns a XYZ representation of the Science_Chemistry_Atom object

See: Science_Chemistry_Atom::toString()
Access: public

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Class: Science_Chemistry_Atom

Class Overview

Author(s):

Version:

Methods

Child classes:

Inherited Variables

Inherited Methods

Class Details

Method Detail

Science_Chemistry_Atom (Constructor) [line 65]

Parameters:

distance [line 119]

Parameters:

getCoordinates [line 107]

getElement [line 95]

isAtom [line 134]

Parameters:

setCoordinates [line 82]

Parameters:

toCML [line 173]

Parameters:

toString [line 149]

toXYZ [line 160]