core.py 文件源码

def patch_environ(nogui=True):
    """
    Patch current environment variables so Chimera can start up and we can import its modules.

    Be warned that calling this function WILL restart your interpreter. Otherwise, Python
    won't catch the new LD_LIBRARY_PATH (or platform equivalent) and Chimera won't find its
    libraries during import.

    Parameters
    ----------
    nogui : bool, optional, default=False
        If the GUI is not going to be launched, try to locate a headless
        Chimera build to enable inline Chimera visualization.
    """
    if 'CHIMERA' in os.environ:
        return

    paths = guess_chimera_path(search_all=nogui)
    CHIMERA_BASE = paths[0]
    if nogui:  # try finding a headless version
        try:
            CHIMERA_BASE = next(p for p in paths if 'headless' in p)
        except StopIteration:
            pass

    os.environ['CHIMERA'] = CHIMERA_BASE
    CHIMERA_LIB = os.path.join(CHIMERA_BASE, 'lib')

    # Set Tcl/Tk for gui mode
    if 'TCL_LIBRARY' in os.environ:
        os.environ['CHIMERA_TCL_LIBRARY'] = os.environ['TCL_LIBRARY']
    os.environ['TCL_LIBRARY'] = os.path.join(CHIMERA_LIB, 'tcl8.6')

    if 'TCLLIBPATH' in os.environ:
        os.environ['CHIMERA_TCLLIBPATH'] = os.environ['TCLLIBPATH']
    os.environ['TCLLIBPATH'] = '{' + CHIMERA_LIB + '}'

    if 'TK_LIBRARY' in os.environ:
        os.environ['CHIMERA_TK_LIBRARY'] = os.environ['TK_LIBRARY']
        del os.environ['TK_LIBRARY']

    if 'TIX_LIBRARY' in os.environ:
        os.environ['CHIMERA_TIX_LIBRARY'] = os.environ['TIX_LIBRARY']
        del os.environ['TIX_LIBRARY']

    if 'PYTHONNOUSERSITE' in os.environ:
        os.environ['CHIMERA_PYTHONNOUSERSITE'] = os.environ['PYTHONNOUSERSITE']
    os.environ['PYTHONNOUSERSITE'] = '1'

    # Check interactive and IPython
    if in_ipython() and hasattr(sys, 'ps1') and not sys.argv[0].endswith('ipython'):
        sys.argv.insert(1, 'ipython')

    # Platform-specific patches
    patch_environ_for_platform(CHIMERA_BASE, CHIMERA_LIB, nogui=nogui)
    os.execve(sys.executable, [sys.executable] + sys.argv, os.environ)