Minor changes for 2.8.0b version

doc/notes

@@ -1,17 +1,6 @@
 TODO LIST:
 ~~~~~~~~~~
 
- - compile open babel statically on all platforms (allows bespoke changes)
-    - remove plugin directory
-    - remove dynamic library in distribution
-    - formats need checking individually, cml, for example, does not work
-      cml needs the libxml 
-
- - Samples for the Parser/test directory:
-    - iqmol archive
-    - charges file
-    - esp/hf/mo plot files from QChem
-
  - clean up MoleculeLayer class
  - For the geometry configurator, a context menu should allow the user to
    export the coordinates to a file.  (This can be done with copy and paste)
@@ -25,7 +14,6 @@ TODO LIST:
     - Block further updates if one is active
 
 
-
 THINGS TO CONSIDER:
   - CubeDataLayer currently duplicates the grid data, which is a wasteful
   - Concept of an engine, these would correspond to threaded tasks that require
@@ -41,19 +29,9 @@ THINGS TO CONSIDER:
   - JobMonitor list saved too often
 
 
-
-
 IQmol 2.7 
 ~~~~~~~~~
 
- o File Formats
-    - Molden input format (http://www.cmbi.ru.nl/molden/molden_format.html)
-    - Archive file
-    - Samples for the Parser/test directory:
-       - iqmol archive
-       - charges file
-       - esp/hf/mo plot files from QChem
-
  o Spectra:
     - UV and examination of excited states
        - Spin flip/MOM
@@ -107,7 +85,7 @@ IQmol 3.0
     o For plots, (eg. ESP) generate suggested box boundaries.
 
  * Viewer
-    o Clipping planes - a new global object (mouse grabber)
+    o Probe planes - a new global object (mouse grabber)
        - Display property (eg. ESP)
        - Configure color, transparency, size, border
     o Adjustable resolution for large systems.

src/Layer/AtomLayer.C

@@ -101,6 +101,9 @@ Atom::Atom(int Z) : Primitive("Atom"), m_charge(0.0), m_spin(0.0),
       setVibrationVectorColor(Preferences::VibrationVectorColor());
    }
 
+   // We don't allow changes to the valency at the moment as it seems to be unstable
+   // Need to check the OpenBabel code again.
+   return;
    QActionGroup* hybrids(new QActionGroup(this));
    QStringList labels;
    labels << "sp" << "sp2" << "sp3" << "Square Planar" 

src/Main/IQmol.h

@@ -34,7 +34,7 @@
 #include <limits>
 #define FOREVER ( std::numeric_limits<int>::max() )
 
-#define IQMOL_VERSION "2.8.0"
+#define IQMOL_VERSION "2.8.0b"
 #define IQMOL_YEAR "2016"
 
 class QToolButton;

src/Process/ServerConfigurationDialog.C

@@ -262,7 +262,9 @@ bool ServerConfigurationDialog::copyTo(ServerConfiguration* config)
       }
 
       if (m_dialog.workingDirectory->text().contains("~")) {
-         QMsgBox::warning(this, "IQmol", "Use of shortcut ~ in working directory not supported");
+         QString msg("Use of ~ shortcut in working directory may not work\n");
+         msg += "Suggest using $HOME or full path";
+         QMsgBox::warning(this, "IQmol", msg);
          return false;
       }
    }