| Package | Description |
|---|---|
| org.helm.notation2.calculation | |
| org.helm.notation2.tools |
| Modifier and Type | Method and Description |
|---|---|
float |
ExtinctionCoefficient.calculate(org.helm.notation2.parser.notation.HELM2Notation helm2notation)
method to calculate the extinction coefficient for the whole HELM molecule
|
float |
ExtinctionCoefficient.calculate(org.helm.notation2.parser.notation.HELM2Notation helm2notation,
int unitType)
method to calculate the extinction coefficient for the whole HELM molecule
|
static ExtinctionCoefficient |
ExtinctionCoefficient.getInstance() |
static MoleculeProperty |
MoleculePropertyCalculator.getMoleculeProperties(org.helm.notation2.parser.notation.HELM2Notation helm2notation)
method to get all molecule properties for one HELM2Notation
|
| Modifier and Type | Method and Description |
|---|---|
Float |
WebService.calculateExtinctionCoefficient(String notation)
method to calculate from a non-ambiguous HELM string the extinction
coefficient
|
List<String> |
WebService.getMolecularProperties(String notation)
method to calculate froma non-ambiguous HELM input the molecular
properties: molecular formula, molecular weight, exact mass, extinction
coefficient
|
Copyright © 2017. All rights reserved.