Merge pull request #2591 from KaiSzuttor/h5md_sample

h5md sample: raise RuntimeError if h5md feature not available

src/python/espressomd/io/writer/h5md.py

@@ -22,83 +22,90 @@
 from six import iteritems
 
 from ...script_interface import PScriptInterface  # pylint: disable=import
-
-
-class H5md(object):
-
-    """H5md file object.
-
-    Used for accessing the H5MD core implementation via the
-    PScriptInterface.
-
-    .. note::
-       Bonds will be written to the file automatically if they exist.
-
-    Parameters
-    ----------
-    filename : :obj:`str`
-               Name of the trajectory file.
-    write_pos : :obj:`bool`, optional
-                If positions should be written.
-    write_vel : :obj:`bool`, optional
-                If velocities should be written.
-    write_force : :obj:`bool`, optional
-                  If forces should be written.
-    write_species : :obj:`bool`, optional
-                 If types (called 'species' in the H5MD specification) should be written.
-    write_mass : :obj:`bool`, optional
-                 If masses should be written.
-    write_charge : :obj:`bool`, optional
-                   If charges should be written.
-    write_ordered : :obj:`bool`, optional
-                    If particle properties should be ordered according to
-                    ids.
-
-    """
-
-    def __init__(self, write_ordered=True, **kwargs):
-        self.valid_params = ['filename', "write_ordered"]
-        if 'filename' not in kwargs:
-            raise ValueError("'filename' parameter missing.")
-        self.what = {'write_pos': 1 << 0,
-                     'write_vel': 1 << 1,
-                     'write_force': 1 << 2,
-                     'write_species': 1 << 3,
-                     'write_mass': 1 << 4,
-                     'write_charge': 1 << 5}
-        self.valid_params.append(self.what.keys())
-        self.what_bin = 0
-        for i, j in iteritems(kwargs):
-            if i in self.what.keys():
-                if isinstance(j, bool):
-                    if j:
-                        self.what_bin += self.what[i]
-                else:
-                    raise ValueError("{} has to be a bool value.".format(i))
-            elif i not in self.valid_params:
-                raise ValueError(
-                    "Unknown parameter {} for H5MD writer.".format(i))
-
-        self.h5md_instance = PScriptInterface(
-            "ScriptInterface::Writer::H5mdScript")
-        self.h5md_instance.set_params(filename=kwargs['filename'],
-                                      what=self.what_bin,
-                                      scriptname=sys.argv[0],
-                                      write_ordered=write_ordered)
-        self.h5md_instance.call_method("init_file")
-
-    def get_params(self):
-        """Get the parameters from the scriptinterface."""
-        return self.h5md_instance.get_params()
-
-    def write(self):
-        """Call the H5md write method."""
-        self.h5md_instance.call_method("write")
-
-    def flush(self):
-        """Call the H5md flush method."""
-        self.h5md_instance.call_method("flush")
-
-    def close(self):
-        """Close the H5md file."""
-        self.h5md_instance.call_method("close")
+from ...code_info import features
+
+if not 'H5MD' in features():
+    class H5md(object):
+
+        def __init__(self, *args, **kwargs):
+            raise RuntimeError("H5md not available.")
+else:
+    class H5md(object):
+
+        """H5md file object.
+
+        Used for accessing the H5MD core implementation via the
+        PScriptInterface.
+
+        .. note::
+           Bonds will be written to the file automatically if they exist.
+
+        Parameters
+        ----------
+        filename : :obj:`str`
+                   Name of the trajectory file.
+        write_pos : :obj:`bool`, optional
+                    If positions should be written.
+        write_vel : :obj:`bool`, optional
+                    If velocities should be written.
+        write_force : :obj:`bool`, optional
+                      If forces should be written.
+        write_species : :obj:`bool`, optional
+                     If types (called 'species' in the H5MD specification) should be written.
+        write_mass : :obj:`bool`, optional
+                     If masses should be written.
+        write_charge : :obj:`bool`, optional
+                       If charges should be written.
+        write_ordered : :obj:`bool`, optional
+                        If particle properties should be ordered according to
+                        ids.
+
+        """
+
+        def __init__(self, write_ordered=True, **kwargs):
+            self.valid_params = ['filename', "write_ordered"]
+            if 'filename' not in kwargs:
+                raise ValueError("'filename' parameter missing.")
+            self.what = {'write_pos': 1 << 0,
+                         'write_vel': 1 << 1,
+                         'write_force': 1 << 2,
+                         'write_species': 1 << 3,
+                         'write_mass': 1 << 4,
+                         'write_charge': 1 << 5}
+            self.valid_params.append(self.what.keys())
+            self.what_bin = 0
+            for i, j in iteritems(kwargs):
+                if i in self.what.keys():
+                    if isinstance(j, bool):
+                        if j:
+                            self.what_bin += self.what[i]
+                    else:
+                        raise ValueError(
+                            "{} has to be a bool value.".format(i))
+                elif i not in self.valid_params:
+                    raise ValueError(
+                        "Unknown parameter {} for H5MD writer.".format(i))
+
+            self.h5md_instance = PScriptInterface(
+                "ScriptInterface::Writer::H5mdScript")
+            self.h5md_instance.set_params(filename=kwargs['filename'],
+                                          what=self.what_bin,
+                                          scriptname=sys.argv[0],
+                                          write_ordered=write_ordered)
+            self.h5md_instance.call_method("init_file")
+
+        def get_params(self):
+            """Get the parameters from the scriptinterface."""
+            return self.h5md_instance.get_params()
+
+        def write(self):
+            """Call the H5md write method."""
+            self.h5md_instance.call_method("write")
+
+        def flush(self):
+            """Call the H5md flush method."""
+            self.h5md_instance.call_method("flush")
+
+        def close(self):
+            """Close the H5md file."""
+            self.h5md_instance.call_method("close")