RobertNachbar/MoleculeComplex | Paclet Repository

RobertNachbar`MoleculeComplex`

MoleculeComplexQ

MoleculeComplexQ[expr]
	Gives True if expr is a valid MoleculeComplex , and False otherwise.

Examples

(2)

Basic Examples

(1)

Test whether an expression is a valid

MoleculeComplex

expression:

In[1]:=

MoleculeComplex

[{Molecule[{"O","H","H"},{Bond[{1,2},"Single"],Bond[{1,3},"Single"]},AtomCoordinates{{0.,0.066777,0.},{-0.76346,-0.529945,0.},{0.76346,-0.529945,0.}}],Molecule[{"O","H","H"},{Bond[{1,2},"Single"],Bond[{1,3},"Single"]},AtomCoordinates{{2.,0.066777,0.},{1.23654,-0.529945,0.},{2.76346,-0.529945,0.}}]}]

Out[1]=

MoleculeComplex

Molecules: 2

Atoms: 6



In[2]:=

MoleculeComplexQ

[%]

Out[2]=

True

Scope

(1)



SeeAlso

RelatedGuides

▪

MoleculeComplex

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