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Overflow logic was not quite correct. Restrict based on number of dig… #810

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Merged
merged 2 commits into from
Feb 1, 2022
Merged

Overflow logic was not quite correct. Restrict based on number of dig… #810

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9c7e454
Overflow logic was not quite correct. Restrict based on number of dig…
johnmay Jan 31, 2022
f44a0c8
Update test case, expected value is not needed
johnmay Feb 1, 2022
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7 changes: 4 additions & 3 deletions ...mula/src/main/java/org/openscience/cdk/tools/manipulator/MolecularFormulaManipulator.java
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Original file line number Diff line number Diff line change
Expand Up @@ -644,7 +644,9 @@ char next() {
return pos == str.length() ? '\0' : str.charAt(pos++);
}

// maximum of 6 digits
int nextUInt() {
int mark = pos;
char c = next();
if (!isDigit(c)) {
if (c != '\0')
Expand All @@ -654,10 +656,9 @@ int nextUInt() {
int res = c - '0';
while (isDigit(c = next())) {
res = (10 * res) + (c - '0');
if (res <= 0) {
throw new NumberFormatException("Integer too large, overflowed");
}
}
if (pos - mark > 7)
throw new NumberFormatException("Value too large, 7 digits max!");
if (c != '\0')
pos--;
return res;
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7 changes: 3 additions & 4 deletions .../src/test/java/org/openscience/cdk/tools/manipulator/MolecularFormulaManipulatorTest.java
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Original file line number Diff line number Diff line change
Expand Up @@ -1346,15 +1346,14 @@ public void testImplicitH() throws Exception {
@Test
public void largeNumberOfAtoms() {
IChemObjectBuilder builder = SilentChemObjectBuilder.getInstance();
assertThat(getAtomCount(getMolecularFormula("C2147483647", builder)),
is(2147483647));
assertThat(getAtomCount(getMolecularFormula("C9999999", builder)),
is(9999999));
}

@Test(expected = NumberFormatException.class)
public void tooLargeNumberOfAtoms() {
IChemObjectBuilder builder = SilentChemObjectBuilder.getInstance();
assertThat(getAtomCount(getMolecularFormula("C2147483648", builder)),
is(2147483647));
getAtomCount(getMolecularFormula("C10000000", builder)); // should throw
}

@Test
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