Hi,
after a fresh clone of the CDK/master I was running the test suite. During this, some MDLV3000Writer tests failed because the molfiles were created with "," instead of "." for 3D coordinates/floating points.
After changing line 794-796 in MDLV3000Writer from
private static final class V30LineWriter implements Closeable { // note: non-static private final DecimalFormat decimalFmt = new DecimalFormat("#.#####");
to
private static final class V30LineWriter implements Closeable { // note: non-static private final DecimalFormat decimalFmt = new DecimalFormat("#.#####", DecimalFormatSymbols.getInstance(Locale.ROOT));
the tests pass now but I am not sure whether this is a good solution (and I would be surprised if I'm the first one who runs into this problem ... do I miss something?)
Markus
Hi,
after a fresh clone of the CDK/master I was running the test suite. During this, some MDLV3000Writer tests failed because the molfiles were created with "," instead of "." for 3D coordinates/floating points.
After changing line 794-796 in MDLV3000Writer from
private static final class V30LineWriter implements Closeable { // note: non-static private final DecimalFormat decimalFmt = new DecimalFormat("#.#####");to
private static final class V30LineWriter implements Closeable { // note: non-static private final DecimalFormat decimalFmt = new DecimalFormat("#.#####", DecimalFormatSymbols.getInstance(Locale.ROOT));the tests pass now but I am not sure whether this is a good solution (and I would be surprised if I'm the first one who runs into this problem ... do I miss something?)
Markus