@@ -51,6 +51,7 @@ def test_gather_atoms(self):
5151
5252 ids = self .lmp .extract_atom ("id" )
5353 self .assertEqual (len (ids ), 256 )
54+ self .assertEqual (self .lmp .get_natoms (), 256 )
5455
5556 def test_extract_fix (self ):
5657 x = self .lmp .extract_fix ("2" , 0 , 1 , 1 )
@@ -96,6 +97,29 @@ def test_extract_box(self):
9697 def test_cmdarg_options (self ):
9798 self .assertTrue (os .path .isfile (self .citation_file ))
9899
100+ def test_version (self ):
101+ self .assertEqual (self .lmp .version , 20230802 )
102+
103+ def test_extract_global (self ):
104+ self .assertEqual (
105+ self .lmp .extract_global (name = "boxhi" ),
106+ [6.718384765530029 , 6.718384765530029 , 6.718384765530029 ]
107+ )
108+ self .assertEqual (
109+ self .lmp .extract_global (name = "boxlo" ),
110+ [0.0 , 0.0 , 0.0 ]
111+ )
112+
113+ def test_properties (self ):
114+ self .assertEqual (self .lmp .has_exceptions , True )
115+ self .assertEqual (self .lmp .has_gzip_support , True )
116+ self .assertEqual (self .lmp .has_png_support , True )
117+ self .assertEqual (self .lmp .has_jpeg_support , True )
118+ self .assertEqual (self .lmp .has_ffmpeg_support , False )
119+
120+ def test_get_thermo (self ):
121+ self .assertEqual (float (self .lmp .get_thermo ("temp" )), 1.1298532212880312 )
122+
99123
100124if __name__ == "__main__" :
101125 unittest .main ()
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