mirror of
https://github.com/Ponce/slackbuilds
synced 2024-11-18 22:06:04 +01:00
33 lines
1.2 KiB
Diff
33 lines
1.2 KiB
Diff
diff -Nru wxmacmolplt-7.2.1.orig/src/Frame.cpp wxmacmolplt-7.2.1/src/Frame.cpp
|
|
--- wxmacmolplt-7.2.1.orig/src/Frame.cpp 2008-04-10 01:04:51.000000000 +0400
|
|
+++ wxmacmolplt-7.2.1/src/Frame.cpp 2009-03-09 10:59:11.000000000 +0300
|
|
@@ -1896,6 +1896,29 @@
|
|
} else tVib = icol;
|
|
}
|
|
}
|
|
+ if (Buffer->LocateKeyWord("RAMAN ACTIVITY:", 15, Buffer->GetFilePos()+132)) {
|
|
+ Buffer->GetLine(LineText);
|
|
+ LinePos = 16;
|
|
+ if ((imode == NumVibs)&&(lVibs->RamanIntensity.empty())) {
|
|
+ lVibs->RamanIntensity.reserve(NumModes);
|
|
+ }
|
|
+ LineLength = strlen(LineText);
|
|
+ long tVib = NumVibs;
|
|
+ float raman;
|
|
+ for (long icol=0; icol<tVib; icol++) {
|
|
+ if (LinePos<LineLength) {
|
|
+ test = sscanf(&(LineText[LinePos]), "%s%n", &token, &nchar);
|
|
+ LinePos += nchar;
|
|
+ if (test) {
|
|
+ if (token[0] != '*') {
|
|
+ test = sscanf(token, "%f", &raman);
|
|
+ if (test)
|
|
+ lVibs->RamanIntensity.push_back(raman);
|
|
+ } else lVibs->RamanIntensity.push_back(10000.0);
|
|
+ } else tVib = icol;
|
|
+ } else tVib = icol;
|
|
+ }
|
|
+ }
|
|
if (Buffer->LocateKeyWord("DEPOLARIZATION:", 15, Buffer->GetFilePos()+132)) {
|
|
Buffer->GetLine(LineText);
|
|
LinePos = 16;
|