Пример #1
0
    def testRead(self):
        field = Field()
        field.read("./Parameters/hsg1_rigid.maps.fld")
        em = ElectrostaticMap()
        em.read("./Maps/hsg1_rigid.d.map", field)

        # 1
        exp = [
            0.704, 0.701, 0.693, 0.691, 0.685, 0.689, 0.689, 0.689, 0.694,
            0.690
        ]
        for i in xrange(10):
            self.assertEquals(em.map[0][0][i], exp[i])

        # 316
        exp = [
            0.766, 0.764, 0.751, 0.753, 0.741, 0.731, 0.730, 0.728, 0.722,
            0.721
        ]
        for i in xrange(10):
            self.assertEquals(em.map[0][5][10 + i], exp[i])

        # 183110
        exp = [
            1.218, 1.232, 1.238, 1.259, 1.259, 1.255, 1.242, 1.240, 1.244,
            1.243
        ]
        for i in xrange(10):
            self.assertEquals(em.map[49][12][48 + i], exp[i])

        # 226972
        exp = [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]
        for i in xrange(10):
            self.assertEquals(em.map[60][60][51 + i], exp[i])
Пример #2
0
    def testRead(self):
        field = Field()
        field.read("./Parameters/hsg1_rigid.maps.fld")
        em = ElectrostaticMap()
        em.read("./Maps/hsg1_rigid.C.map", field)

        # 1
        exp = [
            1.092, 0.806, 0.553, 0.263, 0.190, 0.598, 2.408, 8.181, 23.834,
            54.212
        ]
        for i in xrange(10):
            self.assertEquals(em.map[0][0][i], exp[i])

        # 316
        exp = [
            2165.672, 16349.299, 70409.602, 78148.484, 21661.604, 2812.866,
            387.952, 75.797, 21.270, 10.186
        ]
        for i in xrange(10):
            self.assertEquals(em.map[0][5][10 + i], exp[i])

        # 183110
        exp = [
            425.622, 1197.815, 4611.195, 22100.568, 57932.355, 44180.094,
            108190.430, 102640.172, 116771.336, 199047.891
        ]
        for i in xrange(10):
            self.assertEquals(em.map[49][12][48 + i], exp[i])

        # 226972
        exp = [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]
        for i in xrange(10):
            self.assertEquals(em.map[60][60][51 + i], exp[i])
Пример #3
0
    def testRead(self):
        field = Field()
        field.read("./Parameters/hsg1_rigid.maps.fld")

        self.assertEquals(field.spacing, 0.375)
        self.assertEquals(str(field.num_points), str(Axis3(60, 60, 60)))
        self.assertEquals(str(field.num_points1), str(Axis3(61, 61, 61)))
        self.assertEquals(str(field.center), str(Axis3(2.500, 6.500, -7.500)))
        self.assertEquals(str(field.lo), str(Axis3(-8.750, -4.750, -18.750)))
        self.assertEquals(str(field.hi), str(Axis3(13.750, 17.750, 3.750)))
Пример #4
0
 def testRead(self):
     field = Field()
     field.read("./Parameters/hsg1_rigid.maps.fld")
     
     self.assertEquals(field.spacing, 0.375)
     self.assertEquals(str(field.num_points), str(Axis3(60, 60, 60)))
     self.assertEquals(str(field.num_points1), str(Axis3(61, 61, 61)))
     self.assertEquals(str(field.center), str(Axis3(2.500, 6.500, -7.500)))
     self.assertEquals(str(field.lo), str(Axis3(-8.750, -4.750, -18.750)))
     self.assertEquals(str(field.hi), str(Axis3(13.750, 17.750, 3.750)))
Пример #5
0
    def testRead(self):
        field = Field()
        field.read("./Parameters/hsg1_rigid.maps.fld")
        em = ElectrostaticMap()
        em.read("./Maps/hsg1_rigid.e.map", field)

        # 1
        exp = [
            -0.486, -0.436, -0.410, -0.408, -0.426, -0.459, -0.499, -0.555,
            -0.620, -0.680
        ]
        for i in xrange(10):
            self.assertEquals(em.map[0][0][i], exp[i])

        # 316
        exp = [
            -0.368, -0.175, 0.001, 0.053, -0.019, -0.117, -0.187, -0.249,
            -0.312, -0.395
        ]
        for i in xrange(10):
            self.assertEquals(em.map[0][5][10 + i], exp[i])

        # 183110
        exp = [
            -0.622, -0.730, -0.411, 0.367, 1.223, 1.625, 1.909, 2.677, 2.379,
            -0.580
        ]
        for i in xrange(10):
            self.assertEquals(em.map[49][12][48 + i], exp[i])

        # 226972
        exp = [
            -0.005, -0.006, -0.007, -0.007, -0.007, -0.008, -0.008, -0.007,
            -0.007, -0.007
        ]
        for i in xrange(10):
            self.assertEquals(em.map[60][60][51 + i], exp[i])
Пример #6
0
    def testRead(self):
        field = Field()
        field.read("./Parameters/hsg1_rigid.maps.fld")
        em = ElectrostaticMap()
        em.read("./Maps/hsg1_rigid.d.map", field)

        # 1
        exp = [0.704,
               0.701,
               0.693,
               0.691,
               0.685,
               0.689,
               0.689,
               0.689,
               0.694,
               0.690]
        for i in xrange(10):
            self.assertEquals(em.map[0][0][i], exp[i])

        # 316
        exp = [0.766,
               0.764,
               0.751,
               0.753,
               0.741,
               0.731,
               0.730,
               0.728,
               0.722,
               0.721]
        for i in xrange(10):
            self.assertEquals(em.map[0][5][10 + i], exp[i])

        # 183110
        exp = [1.218,
               1.232,
               1.238,
               1.259,
               1.259,
               1.255,
               1.242,
               1.240,
               1.244,
               1.243]
        for i in xrange(10):
            self.assertEquals(em.map[49][12][48 + i], exp[i])

        # 226972
        exp = [0.0,
               0.0,
               0.0,
               0.0,
               0.0,
               0.0,
               0.0,
               0.0,
               0.0,
               0.0]
        for i in xrange(10):
            self.assertEquals(em.map[60][60][51 + i], exp[i])
Пример #7
0
    def testRead(self):
        field = Field()
        field.read("./Parameters/hsg1_rigid.maps.fld")
        em = ElectrostaticMap()
        em.read("./Maps/hsg1_rigid.e.map", field)

        # 1
        exp = [-0.486,
               -0.436,
               -0.410,
               -0.408,
               -0.426,
               -0.459,
               -0.499,
               -0.555,
               -0.620,
               -0.680]
        for i in xrange(10):
            self.assertEquals(em.map[0][0][i], exp[i])

        # 316
        exp = [-0.368,
               -0.175,
                0.001,
                0.053,
               -0.019,
               -0.117,
               -0.187,
               -0.249,
               -0.312,
               -0.395]
        for i in xrange(10):
            self.assertEquals(em.map[0][5][10 + i], exp[i])

        # 183110
        exp = [-0.622,
               -0.730,
               -0.411,
                0.367,
                1.223,
                1.625,
                1.909,
                2.677,
                2.379,
               -0.580]
        for i in xrange(10):
            self.assertEquals(em.map[49][12][48 + i], exp[i])

        # 226972
        exp = [-0.005,
               -0.006,
               -0.007,
               -0.007,
               -0.007,
               -0.008,
               -0.008,
               -0.007,
               -0.007,
               -0.007]
        for i in xrange(10):
            self.assertEquals(em.map[60][60][51 + i], exp[i])
Пример #8
0
    def testRead(self):
        field = Field()
        field.read("./Parameters/hsg1_rigid.maps.fld")
        em = ElectrostaticMap()
        em.read("./Maps/hsg1_rigid.C.map", field)

        # 1
        exp = [1.092,
               0.806,
               0.553,
               0.263,
               0.190,
               0.598,
               2.408,
               8.181,
               23.834,
               54.212]
        for i in xrange(10):
            self.assertEquals(em.map[0][0][i], exp[i])

        # 316
        exp = [2165.672,
               16349.299,
               70409.602,
               78148.484,
               21661.604,
               2812.866,
               387.952,
               75.797,
               21.270,
               10.186]
        for i in xrange(10):
            self.assertEquals(em.map[0][5][10 + i], exp[i])

        # 183110
        exp = [425.622,
               1197.815,
               4611.195,
               22100.568,
               57932.355,
               44180.094,
               108190.430,
               102640.172,
               116771.336,
               199047.891]
        for i in xrange(10):
            self.assertEquals(em.map[49][12][48 + i], exp[i])

        # 226972
        exp = [0.0,
               0.0,
               0.0,
               0.0,
               0.0,
               0.0,
               0.0,
               0.0,
               0.0,
               0.0]
        for i in xrange(10):
            self.assertEquals(em.map[60][60][51 + i], exp[i])