# Source code for MDAnalysis.coordinates.INPCRD

    # -*- Mode: python; tab-width: 4; indent-tabs-mode:nil; coding:utf-8 -*-
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    # MDAnalysis --- https://www.mdanalysis.org
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    # (see the file AUTHORS for the full list of names)
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    # Please cite your use of MDAnalysis in published work:
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    # R. J. Gowers, M. Linke, J. Barnoud, T. J. E. Reddy, M. N. Melo, S. L. Seyler,
    # D. L. Dotson, J. Domanski, S. Buchoux, I. M. Kenney, and O. Beckstein.
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    # MDAnalysis: A Toolkit for the Analysis of Molecular Dynamics Simulations.
    # J. Comput. Chem. 32 (2011), 2319--2327, doi:10.1002/jcc.21787
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    """INPCRD structure files in MDAnalysis --- :mod:`MDAnalysis.coordinates.INPCRD`
    ================================================================================

    Read coordinates in Amber_ coordinate/restart file (suffix "inpcrd").

    .. _Amber: https://ambermd.org/FileFormats.php

    Classes
    -------

    .. autoclass:: INPReader
       :members:

    """

    from . import base

    class INPReader(base.SingleFrameReaderBase):
        """Reader for Amber restart files."""

        format = ["INPCRD", "RESTRT"]
        units = {"length": "Angstrom"}

        def _read_first_frame(self):
            # Read header
            with open(self.filename, "r") as inf:
                self.title = inf.readline().strip()
                line = inf.readline().split()
                self.n_atoms = int(line[0])

                self.ts = self._Timestep(self.n_atoms, **self._ts_kwargs)
                try:
                    time = float(line[1])
                except IndexError:
                    pass
                else:
                    self.ts.time = time
                self.ts.frame = 0

                for p in range(self.n_atoms // 2):
                    line = inf.readline()
                    # each float is f12.7, 6 floats a line
                    for i, dest in enumerate(
                        [
                            (2 * p, 0),
                            (2 * p, 1),
                            (2 * p, 2),
                            (2 * p + 1, 0),
                            (2 * p + 1, 1),
                            (2 * p + 1, 2),
                        ]
                    ):
                        self.ts._pos[dest] = float(line[i * 12 : (i + 1) * 12])
                # Read last coordinate if necessary
                if self.n_atoms % 2:
                    line = inf.readline()
                    for i in range(3):
                        self.ts._pos[-1, i] = float(line[i * 12 : (i + 1) * 12])

        @staticmethod
        def parse_n_atoms(filename, **kwargs):
            with open(filename, "r") as f:
                f.readline()
                n_atoms = int(f.readline().split()[0])
            return n_atoms