ACM_g-2019.dat and ACM_pg-2019.dat updated, atomtype tests added for guanidinium...
commitde39066fbda801548f32131da1e4e813a0cc697f
authormohammad-ghahremanpour <ghahremanpour.gro@gmail.com>
Fri, 29 Nov 2019 21:35:37 +0000 (29 16:35 -0500)
committermohammad-ghahremanpour <ghahremanpour.gro@gmail.com>
Fri, 29 Nov 2019 21:35:37 +0000 (29 16:35 -0500)
tree784f435cc6d48e4e644376c245ac2c082aef47c5
parent7fa273d2b426c4718cdebee871f6e061526ec9f1
ACM_g-2019.dat and ACM_pg-2019.dat updated, atomtype tests added for guanidinium compounds

Change-Id: I2c6120a6b7b02c11c2cda6d03537e6635828e8c1
src/programs/alexandria/tests/atomtypeTest.cpp
src/programs/alexandria/tests/guanidinium.sdf [new file with mode: 0644]
src/programs/alexandria/tests/refdata/AtomtypeTest_1Amino1Hydroxyguanidine.xml
src/programs/alexandria/tests/refdata/AtomtypeTest_Dimethylguanidinium.xml [copied from src/programs/alexandria/tests/refdata/AtomtypeTest_1Amino1Hydroxyguanidine.xml with 56% similarity]
src/programs/alexandria/tests/refdata/AtomtypeTest_Guanidine.xml
src/programs/alexandria/tests/refdata/AtomtypeTest_Guanidinium.xml [copied from src/programs/alexandria/tests/refdata/AtomtypeTest_Guanidine.xml with 74% similarity]