Merge branch 'develop' into qt5_port

modules/io/src/convert.hh

@@ -24,10 +24,18 @@
 #include <boost/version.hpp>
 #if BOOST_VERSION<106800
 #include <boost/detail/endian.hpp>
+// recent Boost versions use boost/predef/other/endian.h anyway
+#ifndef BOOST_ENDIAN_BIG_BYTE
 #ifdef BOOST_BIG_ENDIAN
-#define BOOST_ENDIAN_BIG_BYTE
+#define BOOST_ENDIAN_BIG_BYTE 1
+#else
+#define BOOST_ENDIAN_BIG_BYTE 0
+#endif
 #endif
 #else
+// see https://www.boost.org/doc/libs/1_68_0/doc/html/predef/reference.html#predef.reference.other_macros.boost_endian
+// defines BOOST_ENDIAN_BIG_BYTE and BOOST_ENDIAN_LITTLE_BYTE
+// -> set to 1 or 0 respectively of endianness of machine
 #include <boost/predef/other/endian.h>
 #endif
 
@@ -35,7 +43,7 @@ namespace ost { namespace io {
 
 enum Endianess {
   OST_BIG_ENDIAN,OST_LITTLE_ENDIAN,OST_VAX_DATA,
-#ifdef BOOST_ENDIAN_BIG_BYTE
+#if BOOST_ENDIAN_BIG_BYTE
   OST_LOCAL_ENDIAN = OST_BIG_ENDIAN
 #else
   OST_LOCAL_ENDIAN = OST_LITTLE_ENDIAN

modules/mol/base/doc/entity.rst

@@ -698,6 +698,43 @@ The Handle Classes
                         name could be found, an invalid :class:`AtomHandle`
                         otherwise
 
+  .. method:: HasAltAtoms()
+
+    Returns whether the residue has any alternative atom groups
+
+    :rtype:             :class:`bool`
+
+  .. method:: HasAltAtomGroup(group_name)
+
+    Returns whether the residue has a certain alternative atom group
+
+    :param group_name:  Group of interest
+    :type group_name:   :class:`str`
+    :rtype:             :class:`bool`
+
+  .. method:: GetAltAtomGroupNames()
+
+    Returns names of all alternative atom groups in residue
+
+    :rtype:             :class:`list` of :class:`str`
+
+  .. method:: GetCurrentAltGroupName()
+
+    Returns the currently active alternative atom group, empty
+    :class:`str` if residue has no alternative atom groups
+
+    :rtype:             :class:`str`
+
+  .. method:: SwitchAtomPos(group_name)
+
+    Switches the atoms in residue to the specified alternative atom group
+
+    :param group_name:  Group of interest
+    :type group_name:   :class:`str`
+    :rtype:             :class:`bool`
+    :returns:           Whether the switch was successful (e.g. False if no such
+                        group exists)
+
   .. method:: GetAtomList()
 
     See :attr:`atoms`