From: toshinagata1964 <toshinagata1964@a2be9bc6-48de-4e38-9406-05402d4bc13c>
Date: Wed, 3 Aug 2011 10:09:48 +0000 (+0000)
Subject: On importing frcmod, atom type with a single character (like "c") was not recognized... 
X-Git-Tag: v1.0.2~539
X-Git-Url: http://git.osdn.net/view?a=commitdiff_plain;h=fd20874e6b21b06e6299557214796ba48047653a;p=molby%2FMolby.git

On importing frcmod, atom type with a single character (like "c") was not recognized properly. Fixed.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@92 a2be9bc6-48de-4e38-9406-05402d4bc13c
---

diff --git a/Scripts/md.rb b/Scripts/md.rb
index fdb1fe6..e66b891 100755
--- a/Scripts/md.rb
+++ b/Scripts/md.rb
@@ -534,21 +534,24 @@ class Molecule
 			name, weight = s.split
 			wtable[name] = Float(weight)
 		  when 2
-		    types, k, r0, com = s.split(" ", 4)
+		    types = s[0..4]
+			k, r0, com = s[5..-1].split(" ", 3)
 		    pp = par.bonds.lookup(types, :local, :missing) || par.bonds.insert
 			pp.atom_types = types
 			pp.k = k
 			pp.r0 = r0
 			pp.comment = com
 		  when 3
-		    types, k, a0, com = s.split(" ", 4)
+		    types = s[0..7]
+			k, a0, com = s[8..-1].split(" ", 3)
 			pp = par.angles.lookup(types, :local, :missing) || par.angles.insert
 			pp.atom_types = types
 			pp.k = k
 			pp.a0 = a0
 			pp.comment = com
 		  when 4
-		    types, n, k, phi0, period, com = s.split(" ", 6)
+		    types = s[0..10]
+			n, k, phi0, period, com = s[11..-1].split(" ", 5)
 			pp = par.dihedrals.lookup(types, :local, :missing) || par.dihedrals.insert
 			pp.atom_types = types
 			pp.mult = 1
@@ -557,7 +560,8 @@ class Molecule
 			pp.period = Float(period).round
 			pp.comment = com
 		  when 5
-		    types, k, phi0, period, com = s.split(" ", 5)
+		    types = s[0..10]
+		    k, phi0, period, com = s[11..-1].split(" ", 4)
 			pp = par.impropers.lookup(types, :local, :missing) || par.impropers.insert
 			pp.atom_types = types
 			pp.mult = 1