gromacs/core.py
def _build_arg_list(self, **kwargs):
        """Build list of arguments from the dict; keys must be valid  gromacs flags."""
        arglist = []
        for flag, value in kwargs.items():
            # XXX: check flag against allowed values
            flag = str(flag)
            if flag.startswith('_'):
                flag = flag[1:]                 # python-illegal keywords are '_'-quoted
            if not flag.startswith('-'):
                flag = '-' + flag               # now flag is guaranteed to start with '-'
            if value is True:
                arglist.append(flag)            # simple command line flag
            elif value is False:
                if flag.startswith('-no'):
                    # negate a negated flag ('noX=False' --> X=True --> -X ... but who uses that?)
                    arglist.append('-' + flag[3:])
                else:
                    arglist.append('-no' + flag[1:])  # gromacs switches booleans by prefixing 'no'
            elif value is None:
                pass                            # ignore flag = None
            else:
                try:
                    arglist.extend([flag] + value) # option with value list
                except TypeError:
                    arglist.extend([flag, value])  # option with single value
        return list(map(str, arglist))
def _build_arg_list(self, **kwargs):
        """Build list of arguments from the dict; keys must be valid  gromacs flags."""
        arglist = []
        for flag, value in kwargs.items():
            # XXX: check flag against allowed values
            flag = str(flag)
            if flag.startswith('_'):
                flag = flag[1:]                 # python-illegal keywords are '_'-quoted
            if not flag.startswith('-'):
                flag = '-' + flag               # now flag is guaranteed to start with '-'
            if value is True:
                arglist.append(flag)            # simple command line flag
            elif value is False:
                if flag.startswith('-no'):
                    # negate a negated flag ('noX=False' --> X=True --> -X ... but who uses that?)
                    arglist.append('-' + flag[3:])
                else:
                    arglist.append('-no' + flag[1:])  # gromacs switches booleans by prefixing 'no'
            elif value is None:
                pass                            # ignore flag = None
            else:
                try:
                    arglist.extend([flag] + value) # option with value list
                except TypeError:
                    arglist.extend([flag, value])  # option with single value
        return list(map(str, arglist))
def _build_arg_list ( self , * * kwargs ) : arglist = [ ] for flag , value in kwargs . items ( ) : # XXX: check flag against allowed values flag = str ( flag ) if flag . startswith ( '_' ) : flag = flag [ 1 : ] # python-illegal keywords are '_'-quoted if not flag . startswith ( '-' ) : flag = '-' + flag # now flag is guaranteed to start with '-' if value is True : arglist . append ( flag ) # simple command line flag elif value is False : if flag . startswith ( '-no' ) : # negate a negated flag ('noX=False' --> X=True --> -X ... but who uses that?) arglist . append ( '-' + flag [ 3 : ] ) else : arglist . append ( '-no' + flag [ 1 : ] ) # gromacs switches booleans by prefixing 'no' elif value is None : pass # ignore flag = None else : try : arglist . extend ( [ flag ] + value ) # option with value list except TypeError : arglist . extend ( [ flag , value ] ) # option with single value return list ( map ( str , arglist ) )
Build list of arguments from the dict; keys must be valid  gromacs flags.
Build list of arguments from the dict ; keys must be valid gromacs flags .