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Copy pathParseMolecule.java
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114 lines (105 loc) · 4.33 KB
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import java.util.HashMap;
import java.util.Map;
import java.util.regex.Matcher;
import java.util.regex.Pattern;
public class ParseMolecule {
static Map<Character, Character> brackets = new HashMap<>();
static {
brackets.put('{', '}');
brackets.put('(', ')');
brackets.put('[', ']');
}
public static Map<String, Integer> getAtoms(String formula) {
Map<String, Integer> map = fillMapWithElements(formula);
for (String s : map.keySet()) {
map.put(s, map.get(s) + getElementCount(formula, s));
}
return map;
}
private static Map<String, Integer> fillMapWithElements(String str) {
Map<String, Integer> map = new HashMap<>();
Matcher matcher = Pattern.compile("[A-Z][a-z]|[A-Z]").matcher(str);
while (matcher.find()) {
map.put(matcher.group(), 0);
}
if (map.size() == 0) throw new IllegalArgumentException();
return map;
}
private static int insideOfBrackets(String str, String element) {
int startPosition = str.indexOf(element);
int multiplicand = getInitialMultiplicand(str, startPosition);
for (int i = startPosition - 1; i > 0; i--) {
boolean valid = false;
if (brackets.containsKey(str.charAt(i))) {
for (int j = startPosition + 1; j < str.length(); j++) {
if (brackets.get(str.charAt(i)) == str.charAt(j)) {
valid = true;
if (j < str.length() - 1 && Character.isDigit(str.charAt(j + 1))) {
multiplicand *= Character.getNumericValue(str.charAt(j + 1));
break;
}
}
}
if (!valid) throw new IllegalArgumentException();
}
}
return multiplicand;
}
private static int getInitialMultiplicand(String str, int startPosition) {
String initialMultiplicand = "";
for (int i = startPosition + 1; i < str.length(); i++) {
if (Character.isDigit(str.charAt(i))) initialMultiplicand += str.charAt(i);
else break;
}
return initialMultiplicand.length() == 0 ? 1 : Integer.parseInt(initialMultiplicand);
}
private static int getElementCount(String str, String element) {
int out = 0;
while (str.contains(element)) {
out += insideOfBrackets(str, element);
str = str.replaceFirst(element, "");
}
return out;
}
}
// public static Map<String, Integer> getAtoms(String formula) {
// Map<String, Integer> map = fillMapWithElements(formula);
// for (String s : map.keySet()) {
// map.put(s, map.get(s) + getElementCount(formula, s));
// }
// return map;
// }
//
// private static Map<String, Integer> fillMapWithElements(String str) {
// Map<String, Integer> map = new HashMap<>();
// Matcher matcher = Pattern.compile("[A-Z][a-z]|[A-Z]").matcher(str);
// while (matcher.find()) {
// map.put(matcher.group(), 0);
// }
// if (map.size() == 0) throw new IllegalArgumentException();
// return map;
// }
//
// private static boolean insideOfBrackets(String str, String element) {
// List<Character> openBrackets = Arrays.asList('(', '{', '[');
// for (int i = 0; i < str.indexOf(element); i++) {
// if (openBrackets.contains(str.charAt(i))) return true;
// }
// return false;
// }
//
// private static int getElementCount(String str, String element) {
// int count = 1;
// if (insideOfBrackets(str, element)) {
// List<Character> closeBrackets = Arrays.asList(')', '}', ']');
// for (int i = str.indexOf(element); i < str.length(); i++) {
// if (closeBrackets.contains(str.charAt(i))) {
// if (i < str.length() - 1 && Character.isDigit(str.charAt(i + 1))) count *= Character.getNumericValue(str.charAt(i + 1));
// }
// }
// } else if (str.lastIndexOf(element) < str.length() - 1 ) {
// char nextToElementChar = str.charAt(str.lastIndexOf(element) + 1);
// if (Character.isDigit(nextToElementChar)) return Character.getNumericValue(nextToElementChar);
// }
// return count;
// }