diff --git a/modules/io/src/convert.hh b/modules/io/src/convert.hh index be5c90c54af9662c87345175c58418272356c80f..c5002ea0b30e1662e5bfc575c00546e21cc16560 100644 --- a/modules/io/src/convert.hh +++ b/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 diff --git a/modules/mol/base/doc/entity.rst b/modules/mol/base/doc/entity.rst index 47b4b9915dde2defcdc8b491b958521758e508f3..05a4bac2a6fad908c0e0b8a2e505f576b7564636 100644 --- a/modules/mol/base/doc/entity.rst +++ b/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`