<reponame>pulsar-chem/BPModule
import pulsar as psr
def load_ref_system():
    """ Returns d-lyxose as found in the IQMol fragment library.
        All credit to https://github.com/nutjunkie/IQmol
    """
    return psr.make_system("""
        C      2.2917     -0.8643      0.5204
        C      1.2567      0.1294     -0.0650
        C     -0.1884     -0.4066      0.1422
        C     -1.2433      0.6859     -0.2062
        C     -2.6385      0.0594     -0.2937
        O      3.5506     -0.2884      0.7180
        O     -1.1684      1.7597      0.6949
        O     -3.4217      0.0832      0.6265
        H      2.3875     -1.7679     -0.1158
        H      2.0038     -1.1919      1.5346
        O      1.5553      0.4328     -1.4047
        O     -0.4542     -1.5171     -0.6923
        H     -0.9934      1.1768     -1.1757
        H     -2.9006     -0.4271     -1.2456
        H      3.8094      0.1229     -0.0983
        H     -1.5452      1.4780      1.5206
        H      1.3550      1.1271      0.4251
        H     -0.3080     -0.7051      1.2141
        H      1.3389     -0.3277     -1.9315
        H      0.0908     -2.2261     -0.3767
        """)

import pulsar as psr
def load_ref_system():
    """ Returns d-lyxose as found in the IQMol fragment library.
        All credit to https://github.com/nutjunkie/IQmol
    """
    return psr.make_system("""
        C      2.2917     -0.8643      0.5204
        C      1.2567      0.1294     -0.0650
        C     -0.1884     -0.4066      0.1422
        C     -1.2433      0.6859     -0.2062
        C     -2.6385      0.0594     -0.2937
        O      3.5506     -0.2884      0.7180
        O     -1.1684      1.7597      0.6949
        O     -3.4217      0.0832      0.6265
        H      2.3875     -1.7679     -0.1158
        H      2.0038     -1.1919      1.5346
        O      1.5553      0.4328     -1.4047
        O     -0.4542     -1.5171     -0.6923
        H     -0.9934      1.1768     -1.1757
        H     -2.9006     -0.4271     -1.2456
        H      3.8094      0.1229     -0.0983
        H     -1.5452      1.4780      1.5206
        H      1.3550      1.1271      0.4251
        H     -0.3080     -0.7051      1.2141
        H      1.3389     -0.3277     -1.9315
        H      0.0908     -2.2261     -0.3767
        """)
Returns d-lyxose as found in the IQMol fragment library.         All credit to https://github.com/nutjunkie/IQmol C      2.2917     -0.8643      0.5204         C      1.2567      0.1294     -0.0650         C     -0.1884     -0.4066      0.1422         C     -1.2433      0.6859     -0.2062         C     -2.6385      0.0594     -0.2937         O      3.5506     -0.2884      0.7180         O     -1.1684      1.7597      0.6949         O     -3.4217      0.0832      0.6265         H      2.3875     -1.7679     -0.1158         H      2.0038     -1.1919      1.5346         O      1.5553      0.4328     -1.4047         O     -0.4542     -1.5171     -0.6923         H     -0.9934      1.1768     -1.1757         H     -2.9006     -0.4271     -1.2456         H      3.8094      0.1229     -0.0983         H     -1.5452      1.4780      1.5206         H      1.3550      1.1271      0.4251         H     -0.3080     -0.7051      1.2141         H      1.3389     -0.3277     -1.9315         H      0.0908     -2.2261     -0.3767