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import os

template = """<?xml version="1.0"?>

<!DOCTYPE SampleAssembly[

   {shape_file_entries}

]>

<SampleAssembly name="{sample_assembly_name}"

   max_multiplescattering_loops_among_scatterers="{max_scatterering}"

   max_multiplescattering_loops_interactM_path1="{max_interactM_scattering}"

   min_neutron_probability="{min_neutron_probability}"

 >

    {sample_blocks}

    <LocalGeometer registry-coordinate-system="InstrumentScientist">

        {geom_regs}

    </LocalGeometer>

    <Environment temperature="300*K"/>

</SampleAssembly>

"""

def _shape_file_entry(shape_name, shape_fileName):

  """

    creating the template for shape entry

  Parameters

  ----------

  shape_name: string

            name of the shape

  shape_fileName : string

            name of the geometry file

  Returns

  -------

  template: string

    template for shape file

  """

  return """ <!ENTITY {shape_name} SYSTEM "{shape_fileName}.xml">

""".format(shape_name=shape_name, shape_fileName=shape_fileName)

def _sample_block(name, shape_name, formula, structureFile, strutureFiletype):

  """

    creating the template for sample block

  Parameters

  ----------

  name: string

    name of the scatterer

  shape_name: string

    name of the shape

  formula: string

    chemical formula of the scatterer

  structureFile: string

    structure file path of the scatterer

  strutureFiletype: string

     extension of the structure file (cif or xyz)

  Returns

  -------

  template: string

    template for sample block

  """

  return """  <PowderSample name="{name}" type="sample">

    <Shape>

      &{shape_name};

    </Shape>

    <Phase type="crystal">

      <ChemicalFormula>{formula}</ChemicalFormula>

      <{strutureFiletype}file>{structureFile}</{strutureFiletype}file>

    </Phase>

  </PowderSample>

""".format(name=name, shape_name=shape_name, formula=formula, structureFile=structureFile, strutureFiletype=strutureFiletype)

scatterers = {

     ('sample', 'sampleshape', 'sample', 'H', 'H.xyz', 'xyz'),   # (name, shape_name, geometry file name, formula, structure file, structurefile type)

}

def makeSAXML(sampleassembly_fileName, pathTosave, max_scatterering, max_interactM_scattering,

              min_neutron_probability, scatterers=scatterers):

   """

    creating the sample assembly file on which mcvine simulation will run

   Parameters

   ----------

   sampleassembly_fileName: string

        file name of the sampleassembly

   pathTosave: string

        the path where the sample assembly file will be saved

   scatterers:set

        the set of scatterer information : scatterer name, shape name, shape file name, chemical formula,

        structure file path, structure file extension

   """

   shape_file_entries = [_shape_file_entry(shape_name, shape_fileName) for name, shape_name, shape_fileName, formula,  structureFile,strutureFiletype  in scatterers]

   shape_file_entries='\n'.join(shape_file_entries)

   sample_blocks = [_sample_block(name, shape_name, formula,structureFile,strutureFiletype) for name, shape_name, shape_fileName, formula, structureFile,strutureFiletype  in scatterers]

   sample_blocks = '\n'.join(sample_blocks)

   lines = ['<Register name="{}" position="(0,0,0)" orientation="(0,0,0)"/>' .format(name) for name, shape_name, shape_fileName, formula, structureFile,strutureFiletype in scatterers]

   geom_regs = '\n '.join(lines)

   text = template.format(shape_file_entries=shape_file_entries, max_scatterering=max_scatterering, 

                          max_interactM_scattering= max_interactM_scattering,

                          sample_assembly_name=sampleassembly_fileName,

                          min_neutron_probability=min_neutron_probability,

                          sample_blocks=sample_blocks, geom_regs=geom_regs)

   with open(os.path.join('{}', 'sampleassembly_{}.xml').format(pathTosave, sampleassembly_fileName), "w") as sam_new:

       sam_new.write(text)