From 5071a0aa2a07d1f514e8c2fd0b6b44a8705ae5db Mon Sep 17 00:00:00 2001
From: John May
Once instantiated all field not filled by passing parameters * to the constructor are null. Elements can be configured by using * the IsotopeFactory.configure() method: + *
** Element element = new Element("C"); * IsotopeFactory if = IsotopeFactory.getInstance(element.getNewBuilder()); * if.configure(element); *- * * * @return The atomic number of this element * diff --git a/base/data/src/main/java/org/openscience/cdk/Isotope.java b/base/data/src/main/java/org/openscience/cdk/Isotope.java index 3877e38e0b..8bcd53992a 100644 --- a/base/data/src/main/java/org/openscience/cdk/Isotope.java +++ b/base/data/src/main/java/org/openscience/cdk/Isotope.java @@ -178,12 +178,12 @@ public void setExactMass(Double exactMass) { *
Once instantiated all field not filled by passing parameters * to the constructor are null. Isotopes can be configured by using * the IsotopeFactory.configure() method: + *
** Isotope isotope = new Isotope("C", 13); * IsotopeFactory if = IsotopeFactory.getInstance(isotope.getNewBuilder()); * if.configure(isotope); *- * * * @return The NaturalAbundance value * @@ -199,12 +199,12 @@ public Double getNaturalAbundance() { *
Once instantiated all field not filled by passing parameters * to the constructor are null. Isotopes can be configured by using * the IsotopeFactory.configure() method: + *
** Isotope isotope = new Isotope("C", 13); * IsotopeFactory if = IsotopeFactory.getInstance(isotope.getNewBuilder()); * if.configure(isotope); *- * * * @return The ExactMass value * @@ -221,12 +221,12 @@ public Double getExactMass() { *
Once instantiated all field not filled by passing parameters * to the constructor are null. Isotopes can be configured by using * the IsotopeFactory.configure() method: + *
** Isotope isotope = new Isotope("C", 13); * IsotopeFactory if = IsotopeFactory.getInstance(isotope.getNewBuilder()); * if.configure(isotope); *- * * * @return The atomic mass of this element * diff --git a/base/interfaces/src/main/java/org/openscience/cdk/interfaces/IElement.java b/base/interfaces/src/main/java/org/openscience/cdk/interfaces/IElement.java index 9fa75438f5..a90e47ee3d 100644 --- a/base/interfaces/src/main/java/org/openscience/cdk/interfaces/IElement.java +++ b/base/interfaces/src/main/java/org/openscience/cdk/interfaces/IElement.java @@ -40,7 +40,6 @@ public interface IElement extends IChemObject { * IsotopeFactory if = IsotopeFactory.getInstance(element.getNewBuilder()); * if.configure(element); * - * * * @return The atomic number of this element * diff --git a/base/isomorphism/src/main/java/org/openscience/cdk/isomorphism/matchers/QueryAtom.java b/base/isomorphism/src/main/java/org/openscience/cdk/isomorphism/matchers/QueryAtom.java index 1fddbc9ef0..71a702cea5 100644 --- a/base/isomorphism/src/main/java/org/openscience/cdk/isomorphism/matchers/QueryAtom.java +++ b/base/isomorphism/src/main/java/org/openscience/cdk/isomorphism/matchers/QueryAtom.java @@ -487,12 +487,12 @@ public void setExactMass(Double exactMass) { *
Once instantiated all field not filled by passing parameters * to the constructor are null. Isotopes can be configured by using * the IsotopeFactory.configure() method: + *
** Isotope isotope = new Isotope("C", 13); * IsotopeFactory if = IsotopeFactory.getInstance(isotope.getNewBuilder()); * if.configure(isotope); *- * * * @return The NaturalAbundance value * @@ -508,12 +508,12 @@ public Double getNaturalAbundance() { *
Once instantiated all field not filled by passing parameters * to the constructor are null. Isotopes can be configured by using * the IsotopeFactory.configure() method: + *
** Isotope isotope = new Isotope("C", 13); * IsotopeFactory if = IsotopeFactory.getInstance(isotope.getNewBuilder()); * if.configure(isotope); *- * * * @return The ExactMass value * @@ -530,12 +530,12 @@ public Double getExactMass() { *
Once instantiated all field not filled by passing parameters * to the constructor are null. Isotopes can be configured by using * the IsotopeFactory.configure() method: + *
** Isotope isotope = new Isotope("C", 13); * IsotopeFactory if = IsotopeFactory.getInstance(isotope.getNewBuilder()); * if.configure(isotope); *- * * * @return The atomic mass of this element * @@ -562,15 +562,14 @@ public void setMassNumber(Integer massNumber) { /** * Returns the atomic number of this element. * - *
Once instantiated all field not filled by passing parameters + *
Once instantiated all field not filled by passing parameters * to the constructor are null. Elements can be configured by using - * the IsotopeFactory.configure() method: + * the IsotopeFactory.configure() method:
** Element element = new Element("C"); * IsotopeFactory if = IsotopeFactory.getInstance(element.getNewBuilder()); * if.configure(element); *- * * * @return The atomic number of this element * diff --git a/base/standard/src/main/java/org/openscience/cdk/fingerprint/HybridizationFingerprinter.java b/base/standard/src/main/java/org/openscience/cdk/fingerprint/HybridizationFingerprinter.java index fde885a0e2..87f222a9d2 100644 --- a/base/standard/src/main/java/org/openscience/cdk/fingerprint/HybridizationFingerprinter.java +++ b/base/standard/src/main/java/org/openscience/cdk/fingerprint/HybridizationFingerprinter.java @@ -50,14 +50,14 @@ * exclude candidates for a substructure search in a database. They are also a * means for determining the similarity of chemical structures. * - *
A fingerprint is generated for an AtomContainer with this code:
+ ** *A fingerprint is generated for an AtomContainer with this code:
* Molecule molecule = new Molecule(); * IFingerprinter fingerprinter = * new HybridizationFingerprinter(); * BitSet fingerprint = fingerprinter.getFingerprint(molecule); * fingerprint.size(); // returns 1024 by default * fingerprint.length(); // returns the highest set bit - *+ *
The FingerPrinter assumes that hydrogens are explicitly given! * Furthermore, if pseudo atoms or atoms with malformed symbols are present, diff --git a/base/standard/src/main/java/org/openscience/cdk/graph/AtomContainerAtomPermutor.java b/base/standard/src/main/java/org/openscience/cdk/graph/AtomContainerAtomPermutor.java index 985b050955..456d41550b 100755 --- a/base/standard/src/main/java/org/openscience/cdk/graph/AtomContainerAtomPermutor.java +++ b/base/standard/src/main/java/org/openscience/cdk/graph/AtomContainerAtomPermutor.java @@ -28,9 +28,9 @@ /** * An atom container atom permutor that uses ranking and unranking to calculate - * the next permutation in the series.
+ * the next permutation in the series. * - *Typical use:
+ *Typical use:
* AtomContainerAtomPermutor permutor = new AtomContainerAtomPermutor(container); * while (permutor.hasNext()) { * IAtomContainer permutedContainer = permutor.next();