From af76142369c11ec77a5f7163f2e4bec47eb5b973 Mon Sep 17 00:00:00 2001
From: Daniil Bratashov <dn2010@gmail.com>
Date: Wed, 12 May 2010 23:27:42 +0200
Subject: academic/wxmacmolplt: Added to 12.2 repository

---
 academic/wxmacmolplt/wxmacmolplt-7.2.1-raman.patch | 33 ++++++++++++++++++++++
 1 file changed, 33 insertions(+)
 create mode 100644 academic/wxmacmolplt/wxmacmolplt-7.2.1-raman.patch

(limited to 'academic/wxmacmolplt/wxmacmolplt-7.2.1-raman.patch')

diff --git a/academic/wxmacmolplt/wxmacmolplt-7.2.1-raman.patch b/academic/wxmacmolplt/wxmacmolplt-7.2.1-raman.patch
new file mode 100644
index 0000000000000..6845b0bdaafeb
--- /dev/null
+++ b/academic/wxmacmolplt/wxmacmolplt-7.2.1-raman.patch
@@ -0,0 +1,33 @@
+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;
-- 
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