Docs For Class Science_Chemistry

Science_Chemistry_Macromolecule (Constructor) [line 72]

object Science_Chemistry_Macromolecule Science_Chemistry_Macromolecule(
string
$name, [optional
$molecules = ""])

Constructor for the class, requires a macromolecule name and an optional array of Science_Chemistry_Molecule objects

See: Science_Chemistry_Macromolecule::initMacromolecule()
See: $name
Access: public

Parameters:

string	`$name`	—
optional	`$molecules`	—	array $molecules

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addMolecule [line 112]

boolean addMolecule(
object Science_Chemistry_Molecule
$mol)

Adds a Science_Chemistry_Molecule object to the list of molecules in the macromolecule

See: Science_Chemistry_Macromolecule::initMacromolecule()
Access: public

Parameters:

object Science_Chemistry_Molecule $mol —

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getMolecules [line 129]

array getMolecules(
)

Returns an array of Science_Chemistry_Molecule objects

See: $molecules
Access: public

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initMacromolecule [line 90]

boolean initMacromolecule(
array
$molecules)

Initializes the array of Science_Chemistry_Molecule objects

See: Science_Chemistry_Macromolecule::addMolecule()
See: $molecules
See: $num_molecules
Access: public

Parameters:

array $molecules —

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isMacromolecule [line 140]

boolean isMacromolecule(
object Science_Chemistry_Macromolecule
$obj)

Checks if the object is an instance of Science_Chemistry_Macromolecule

Access: public

Parameters:

object Science_Chemistry_Macromolecule $obj —

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toCML [line 186]

string toCML(
[optional
$title = "macromolecule"], [optional
$id = "macromol1"], [
$connect = false])

Returns a CML representation of the molecule Accepts an optional id, and a flag to signal printing of the connection table

Access: public

Parameters:

optional	`$title`	—	string $id
optional	`$id`	—	boolean $connect
	`$connect`	—

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toString [line 172]

string toString(
)

Returns a string representation of the macromolecule as a multiple molecule XYZ-format file Alias of toXYZ()

See: Science_Chemistry_Macromolecule::toString()
Access: public

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toXYZ [line 156]

string toXYZ(
)

Returns a string representation of the macromolecule as a multiple molecule XYZ-format file

See: Science_Chemistry_Macromolecule::toString()
Access: public

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Class: Science_Chemistry_Macromolecule

Class Overview

Author(s):

Version:

Methods

Child classes:

Inherited Variables

Inherited Methods

Class Details

Method Detail

Science_Chemistry_Macromolecule (Constructor) [line 72]

Parameters:

addMolecule [line 112]

Parameters:

getMolecules [line 129]

initMacromolecule [line 90]

Parameters:

isMacromolecule [line 140]

Parameters:

toCML [line 186]

Parameters:

toString [line 172]

toXYZ [line 156]