<reponame>pulsar-chem/BPModule
import pulsar as psr
def load_ref_system():
    """ Returns d-phenylalanine as found in the IQMol fragment library.
        All credit to https://github.com/nutjunkie/IQmol
    """
    return psr.make_system("""
        C      2.3195     -0.7239     -1.3037
        C      0.8488     -0.5028     -0.9352
        N      0.0878     -0.2837     -2.1955
        C      0.6222      0.6941      0.0031
        H      1.4438      0.7480      0.7518
        H      0.6699      1.6506     -0.5583
        C     -0.6861      0.5736      0.7157
        C     -1.7900      1.3156      0.2937
        H     -1.7012      1.9898     -0.5666
        C     -3.0030      1.2022      0.9647
        H     -3.8665      1.7872      0.6311
        C     -3.1206      0.3494      2.0568
        H     -4.0763      0.2625      2.5841
        C     -2.0220     -0.3923      2.4797
        H     -2.1126     -1.0636      3.3400
        C     -0.8079     -0.2817      1.8127
        H      0.0572     -0.8650      2.1484
        O      2.7408     -1.5525     -2.0839
        O      3.3406     -0.0308     -0.7547
        H      0.5247     -1.4346     -0.3967
        H     -0.8782     -0.1687     -1.9701
        H      0.2054     -1.0640     -2.8055
        H      3.0107      0.6082     -0.1296
        """)

import pulsar as psr
def load_ref_system():
    """ Returns d-phenylalanine as found in the IQMol fragment library.
        All credit to https://github.com/nutjunkie/IQmol
    """
    return psr.make_system("""
        C      2.3195     -0.7239     -1.3037
        C      0.8488     -0.5028     -0.9352
        N      0.0878     -0.2837     -2.1955
        C      0.6222      0.6941      0.0031
        H      1.4438      0.7480      0.7518
        H      0.6699      1.6506     -0.5583
        C     -0.6861      0.5736      0.7157
        C     -1.7900      1.3156      0.2937
        H     -1.7012      1.9898     -0.5666
        C     -3.0030      1.2022      0.9647
        H     -3.8665      1.7872      0.6311
        C     -3.1206      0.3494      2.0568
        H     -4.0763      0.2625      2.5841
        C     -2.0220     -0.3923      2.4797
        H     -2.1126     -1.0636      3.3400
        C     -0.8079     -0.2817      1.8127
        H      0.0572     -0.8650      2.1484
        O      2.7408     -1.5525     -2.0839
        O      3.3406     -0.0308     -0.7547
        H      0.5247     -1.4346     -0.3967
        H     -0.8782     -0.1687     -1.9701
        H      0.2054     -1.0640     -2.8055
        H      3.0107      0.6082     -0.1296
        """)
Returns d-phenylalanine as found in the IQMol fragment library.         All credit to https://github.com/nutjunkie/IQmol C      2.3195     -0.7239     -1.3037         C      0.8488     -0.5028     -0.9352         N      0.0878     -0.2837     -2.1955         C      0.6222      0.6941      0.0031         H      1.4438      0.7480      0.7518         H      0.6699      1.6506     -0.5583         C     -0.6861      0.5736      0.7157         C     -1.7900      1.3156      0.2937         H     -1.7012      1.9898     -0.5666         C     -3.0030      1.2022      0.9647         H     -3.8665      1.7872      0.6311         C     -3.1206      0.3494      2.0568         H     -4.0763      0.2625      2.5841         C     -2.0220     -0.3923      2.4797         H     -2.1126     -1.0636      3.3400         C     -0.8079     -0.2817      1.8127         H      0.0572     -0.8650      2.1484         O      2.7408     -1.5525     -2.0839         O      3.3406     -0.0308     -0.7547         H      0.5247     -1.4346     -0.3967         H     -0.8782     -0.1687     -1.9701         H      0.2054     -1.0640     -2.8055         H      3.0107      0.6082     -0.1296