<reponame>pulsar-chem/BPModule<filename>lib/systems/1h-indene.py
import pulsar as psr
def load_ref_system():
    """ Returns 1h-indene as found in the IQMol fragment library.
        All credit to https://github.com/nutjunkie/IQmol
    """
    return psr.make_system("""
        C      2.2627     -0.1072     -0.0020
        C      1.7764     -1.4113     -0.0194
        C      0.4049     -1.6677     -0.0225
        C     -0.4611     -0.5864     -0.0077
        C      1.3938      0.9858      0.0129
        C      0.0336      0.7384      0.0099
        C     -1.9238     -0.5306     -0.0066
        C     -1.1277      1.6880      0.0228
        C     -2.3156      0.7615      0.0108
        H      3.3438      0.0660      0.0000
        H      2.4802     -2.2500     -0.0308
        H      0.0223     -2.6925     -0.0361
        H      1.7799      2.0093      0.0265
        H     -2.5547     -1.4176     -0.0183
        H     -1.1249      2.3563     -0.8576
        H     -1.1244      2.3333      0.9201
        H     -3.3363      1.1391      0.0162
        """)

import pulsar as psr
def load_ref_system():
    """ Returns 1h-indene as found in the IQMol fragment library.
        All credit to https://github.com/nutjunkie/IQmol
    """
    return psr.make_system("""
        C      2.2627     -0.1072     -0.0020
        C      1.7764     -1.4113     -0.0194
        C      0.4049     -1.6677     -0.0225
        C     -0.4611     -0.5864     -0.0077
        C      1.3938      0.9858      0.0129
        C      0.0336      0.7384      0.0099
        C     -1.9238     -0.5306     -0.0066
        C     -1.1277      1.6880      0.0228
        C     -2.3156      0.7615      0.0108
        H      3.3438      0.0660      0.0000
        H      2.4802     -2.2500     -0.0308
        H      0.0223     -2.6925     -0.0361
        H      1.7799      2.0093      0.0265
        H     -2.5547     -1.4176     -0.0183
        H     -1.1249      2.3563     -0.8576
        H     -1.1244      2.3333      0.9201
        H     -3.3363      1.1391      0.0162
        """)
Returns 1h-indene as found in the IQMol fragment library.         All credit to https://github.com/nutjunkie/IQmol C      2.2627     -0.1072     -0.0020         C      1.7764     -1.4113     -0.0194         C      0.4049     -1.6677     -0.0225         C     -0.4611     -0.5864     -0.0077         C      1.3938      0.9858      0.0129         C      0.0336      0.7384      0.0099         C     -1.9238     -0.5306     -0.0066         C     -1.1277      1.6880      0.0228         C     -2.3156      0.7615      0.0108         H      3.3438      0.0660      0.0000         H      2.4802     -2.2500     -0.0308         H      0.0223     -2.6925     -0.0361         H      1.7799      2.0093      0.0265         H     -2.5547     -1.4176     -0.0183         H     -1.1249      2.3563     -0.8576         H     -1.1244      2.3333      0.9201         H     -3.3363      1.1391      0.0162