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path: root/noncore/apps/oxygen/kmolelements.cpp
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-rw-r--r--noncore/apps/oxygen/kmolelements.cpp36
1 files changed, 18 insertions, 18 deletions
diff --git a/noncore/apps/oxygen/kmolelements.cpp b/noncore/apps/oxygen/kmolelements.cpp
index ce8f9c1..e76461b 100644
--- a/noncore/apps/oxygen/kmolelements.cpp
+++ b/noncore/apps/oxygen/kmolelements.cpp
@@ -10,6 +10,6 @@
10#include <stdio.h> 10#include <stdio.h>
11#include "kmolelements.h" 11#include "kmolelements.h"
12 12
13/** 13/**
14 * A generic chemical entity. Can be an element or a group. 14 * A generic chemical entity. Can be an element or a group.
15 */ 15 */
@@ -20,3 +20,3 @@ SubUnit::~SubUnit () {}
20/** 20/**
21 * Construct a subunit and return a pointer to it. The syntax of LINE is 21 * Construct a subunit and return a pointer to it. The syntax of LINE is
22 * the one used in the element definition file. 22 * the one used in the element definition file.
@@ -30,3 +30,3 @@ SubUnit* SubUnit::makeSubUnit(QString line) {
30 return new Element(name, weight.toDouble()); 30 return new Element(name, weight.toDouble());
31 } 31 }
32 else { 32 else {
@@ -50,3 +50,3 @@ QString SubUnit::getName() const {
50 */ 50 */
51double SubUnit::getWeight(QDict<SubUnit>* elstable) const { 51double SubUnit::getWeight(QDict<SubUnit>* ) const {
52 return -1; 52 return -1;
@@ -55,3 +55,3 @@ double SubUnit::getWeight(QDict<SubUnit>* elstable) const {
55/** 55/**
56 * A group of elements. 56 * A group of elements.
57 */ 57 */
@@ -67,3 +67,3 @@ ElementList::~ElementList () {
67/** 67/**
68 * A group of elements. 68 * A group of elements.
69 */ 69 */
@@ -82,3 +82,3 @@ void ElementList::writeOut(QString& line) {
82 while (current != 0) { 82 while (current != 0) {
83 line += " " + current->name + " " + coef.setNum(current->coef, 'g', 10); 83 line += " " + current->name + " " + coef.setNum(current->coef, 'g', 10);
84 // precision set to 10 digits 84 // precision set to 10 digits
@@ -105,3 +105,3 @@ double ElementList::getWeight(QDict<SubUnit>* elstable) const {
105/** 105/**
106 * Return a string representing the elemental composition of THIS, as 106 * Return a string representing the elemental composition of THIS, as
107 * a tab-separated element - percentage pairs, separated by newlines. 107 * a tab-separated element - percentage pairs, separated by newlines.
@@ -116,6 +116,6 @@ QString ElementList::getEA(QDict<SubUnit>* elstable, double mw) const {
116 if (e != 0) { 116 if (e != 0) {
117 double current_percent = 100 * (current->coef) * 117 double current_percent = 100 * (current->coef) *
118 (e->getWeight(elstable)) 118 (e->getWeight(elstable))
119 / mw; 119 / mw;
120 ea += current->name + "\t" + 120 ea += current->name + "\t" +
121 temp.setNum(current_percent) + "\n"; 121 temp.setNum(current_percent) + "\n";
@@ -126,3 +126,3 @@ QString ElementList::getEA(QDict<SubUnit>* elstable, double mw) const {
126} 126}
127 127
128/** 128/**
@@ -164,3 +164,3 @@ void ElementList::addTo(ElementList& els, double coef) {
164/** 164/**
165 * Add an element to THIS, with a coefficient COEF. If THIS already contains 165 * Add an element to THIS, with a coefficient COEF. If THIS already contains
166 * an element with the same name, adjust its coefficient only; if not, create 166 * an element with the same name, adjust its coefficient only; if not, create
@@ -186,3 +186,3 @@ bool ElementList::contains(const QString& name) {
186 while (current != 0) { 186 while (current != 0) {
187 if (current->name == name) 187 if (current->name == name)
188 return true; 188 return true;
@@ -204,3 +204,3 @@ QString ElementList::getName() const {
204 */ 204 */
205Element::Element(const QString& n, double w) 205Element::Element(const QString& n, double w)
206 : weight(w), name(n) { } 206 : weight(w), name(n) { }
@@ -220,3 +220,3 @@ void Element::writeOut(QString& line) {
220 220
221double Element::getWeight(QDict<SubUnit>* elstable) const { 221double Element::getWeight(QDict<SubUnit>* ) const {
222 return weight; 222 return weight;
@@ -233,3 +233,3 @@ QString Element::getName() const {
233/** 233/**
234 * An element - coefficient pair. Used to represent elements within an 234 * An element - coefficient pair. Used to represent elements within an
235 * element list. 235 * element list.