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ChemistryFunctions

Guides

  • Wolfram Chemistry Functions

Symbols

  • AtomSelector3D
  • AtomSelector
  • BohrModelPlot
  • ChemicalFormulaQ
  • ChemicalReactionQ
  • ConstitutionalIsomersQ
  • DiastereomersQ
  • EmbeddedMoleculeQ
  • EmpiricalFormula
  • EmptyMoleculeQ
  • EnantiomersQ
  • EpimersQ
  • FormatMoleculesAsGraphics
  • HydrocarbonQ
  • ImportComputationalChemistryData
  • IonCounts
  • MoleculeDelete
  • MoleculeGridPlot3D
  • MoleculeGridPlot
  • MoleculeJoin
  • MoleculeManipulate3D
  • MoleculeManipulate
  • MoleculeMirrorPlot3D
  • MoleculePatternQ
  • MoleculePlotOptions
  • MoleculeScaffold
  • MoleculeSubstructureMatches
  • PatternReactionQ
  • PeriodicTablePlot
  • RandomMolecule
  • RingMoleculeQ
  • RingPattern
  • SmilesPlot
  • StereoisomersQ
WolframChemistry`ChemistryFunctions`
ChemicalReactionQ
​
ChemicalReactionQ
[rxn]
returns
True
if rxn is a valid
ChemicalReaction
object and
False
otherwise.
​
Details and Options

Examples  
(2)
Basic Examples  
(2)
Test a valid chemical reaction:
In[1]:=
ChemicalReactionQ
ChemicalReaction
AlP
O
4
+
Ca
(N
O
3
)
2
⟶
Al
(N
O
3
)
3
+
Ca
3
(P
O
4
)
2

Out[1]=
True
A string is not a chemical reaction:
In[2]:=
ChemicalReactionQ
["AlPO4 + Ca(NO3)2 -> Al(NO3)3 + Ca3(PO4)2"]
Out[2]=
False
​
When given invalid input,
ChemicalReaction
will return unevaluated:
In[1]:=
ChemicalReaction[junk]
ChemicalReaction
:Unable to parse junk as a chemical reaction.
Out[1]=
ChemicalReaction[junk]
This will still match a simple pattern:
In[2]:=
MatchQ[%,_ChemicalReaction]
Out[2]=
True
Test the validity instead using
ChemicalReactionQ
:
In[3]:=
ChemicalReactionQ
[%%]
Out[3]=
False
SeeAlso
MoleculeQ
 
▪
ChemicalReaction
 
▪
ChemicalFormulaQ
 
▪
PatternReactionQ
RelatedGuides
▪
Wolfram Chemistry Functions
""

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