/dports/science/cdk/cdk-cdk-2.3/tool/formula/src/test/java/org/openscience/cdk/formula/ |
H A D | IsotopePatternManipulatorTest.java | 43 Assert.assertEquals(156.07770, listISO.get(0).getMass(), 0.00001); in testNormalize_IsotopePattern() 44 Assert.assertEquals(157.08059, listISO.get(1).getMass(), 0.00001); in testNormalize_IsotopePattern() 45 Assert.assertEquals(157.07503, listISO.get(2).getMass(), 0.00001); in testNormalize_IsotopePattern() 46 Assert.assertEquals(158.08135, listISO.get(3).getMass(), 0.00001); in testNormalize_IsotopePattern() 69 Assert.assertEquals(156.07770, listISO.get(0).getMass(), 0.00001); in testSortByIntensity_IsotopePattern() 70 Assert.assertEquals(158.08135, listISO.get(1).getMass(), 0.00001); in testSortByIntensity_IsotopePattern() 71 Assert.assertEquals(157.08059, listISO.get(2).getMass(), 0.00001); in testSortByIntensity_IsotopePattern() 72 Assert.assertEquals(157.07503, listISO.get(3).getMass(), 0.00001); in testSortByIntensity_IsotopePattern() 100 Assert.assertEquals(156.07770, listISO.get(0).getMass(), 0.00001); in testSortAndNormalizedByIntensity_IsotopePattern() 101 Assert.assertEquals(158.08135, listISO.get(1).getMass(), 0.00001); in testSortAndNormalizedByIntensity_IsotopePattern() [all …]
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H A D | IsotopePatternGeneratorTest.java | 143 Assert.assertEquals(massResults[0], isoPattern.getIsotope(0).getMass(), 0.01); in testCalculateIsotopesAllBromine() 144 Assert.assertEquals(massResults[1], isoPattern.getIsotope(1).getMass(), 0.01); in testCalculateIsotopesAllBromine() 145 Assert.assertEquals(massResults[2], isoPattern.getIsotope(2).getMass(), 0.01); in testCalculateIsotopesAllBromine() 175 Assert.assertEquals(massResults[0], isoPattern.getIsotope(0).getMass(), 0.01); in testCalculateIsotopesIodemethylidyne() 176 Assert.assertEquals(massResults[1], isoPattern.getIsotope(1).getMass(), 0.01); in testCalculateIsotopesIodemethylidyne() 202 Assert.assertEquals(massResults[0], isoPattern.getIsotope(0).getMass(), 0.01); in testCalculateIsotopesnCarbono() 203 Assert.assertEquals(massResults[1], isoPattern.getIsotope(1).getMass(), 0.01); in testCalculateIsotopesnCarbono() 204 Assert.assertEquals(massResults[2], isoPattern.getIsotope(2).getMass(), 0.01); in testCalculateIsotopesnCarbono() 276 Assert.assertTrue(isos.getIsotope(i).getMass() > 120085); in testCalculateIsotopesC10000() 319 Assert.assertNotEquals(ip1.getIsotope(0).getMass(), ip2.getIsotope(0).getMass()); in testGetIsotopes_IMolecularFormula_Charged() [all …]
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H A D | IsotopePatternTest.java | 156 Assert.assertEquals(156.07770, clone.getMonoIsotope().getMass(), 0.001); in testClone() 157 Assert.assertEquals(156.07770, clone.getIsotopes().get(0).getMass(), 0.001); in testClone() 158 Assert.assertEquals(157.07503, clone.getIsotopes().get(1).getMass(), 0.001); in testClone() 159 Assert.assertEquals(157.08059, clone.getIsotopes().get(2).getMass(), 0.001); in testClone() 160 Assert.assertEquals(158.08135, clone.getIsotopes().get(3).getMass(), 0.001); in testClone()
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H A D | IsotopeContainerTest.java | 66 Assert.assertEquals(mass, isoC.getMass(), 0.001); in testIsotopeContainer_double_double() 130 Assert.assertEquals(mass, isoC.getMass(), 0.001); in testGetMass() 163 Assert.assertEquals(mass, clone.getMass(), 0.001); in testClone()
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/dports/cad/impact/Impact/src/run/constraints/ |
H A D | RigidBody.java | 255 pos = master_node.getPos().times(master_node.getMass()); in setInitialConditions() 256 mass = master_node.getMass(); in setInitialConditions() 260 pos.plusEquals(nod.getPos().times(nod.getMass())); in setInitialConditions() 261 mass += nod.getMass(); in setInitialConditions() 279 master_node.addMass(nod.getMass()); in setInitialConditions() 323 inertia.set(0, 1, master_node.getMass() * (vx + vy)); // Ixy in setInitialConditions() 324 inertia.set(1, 0, master_node.getMass() * (vx + vy)); // Iyx in setInitialConditions() 325 inertia.set(1, 2, master_node.getMass() * (vy + vz)); // Iyz in setInitialConditions() 326 inertia.set(2, 1, master_node.getMass() * (vy + vz)); // Izy in setInitialConditions() 327 inertia.set(2, 0, master_node.getMass() * (vx + vz)); // Ixz in setInitialConditions() [all …]
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/dports/cad/impact/Impact/bin_cluster/genjpsource/run/constraints/ |
H A D | RigidBody.java | 221 pos = this.master_node.getPos().times(this.master_node.getMass()); in setInitialConditions() 222 mass = this.master_node.getMass(); in setInitialConditions() 225 pos.plusEquals(nod.getPos().times(nod.getMass())); in setInitialConditions() 226 mass += nod.getMass(); in setInitialConditions() 236 this.master_node.addMass(nod.getMass()); in setInitialConditions() 259 inertia.set(0, 1, this.master_node.getMass() * (vx + vy)); in setInitialConditions() 260 inertia.set(1, 0, this.master_node.getMass() * (vx + vy)); in setInitialConditions() 261 inertia.set(1, 2, this.master_node.getMass() * (vy + vz)); in setInitialConditions() 262 inertia.set(2, 1, this.master_node.getMass() * (vy + vz)); in setInitialConditions() 263 inertia.set(2, 0, this.master_node.getMass() * (vx + vz)); in setInitialConditions() [all …]
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/dports/science/cdk/cdk-cdk-2.3/tool/formula/src/main/java/org/openscience/cdk/formula/ |
H A D | IsotopePatternSimilarity.java | 66 double mass = isoC.getMass(); in compare() 86 diffMass = isoContainer.getMass() - iso2.getIsotopes().get(closestDp).getMass(); in compare() 115 … double tempDiff = Math.abs((isoContainer.getMass()) - pattern.getIsotopes().get(i).getMass()); in getClosestDataDiff() 116 if (tempDiff <= (tolerance_ppm / isoContainer.getMass()) && tempDiff < diff) { in getClosestDataDiff()
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H A D | IsotopePatternGenerator.java | 176 if (Math.abs(container.getMass() - mass) <= treshhold) { in findExisting() 217 double mass = container.getMass() + other.getMass(); in calculateAbundanceAndMass() 224 existing.setMass((existing.getMass()*existing.getIntensity() + in calculateAbundanceAndMass()
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H A D | IsotopeContainer.java | 121 public double getMass() { in getMass() method in IsotopeContainer 144 isoClone.setMass(getMass()); in clone()
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/dports/science/votca/votca-2021.2-18560-gfbe18d971/csg/src/tests/ |
H A D | test_triplelist.cc | 85 BOOST_CHECK_CLOSE(triplefront->bead1()->getMass(), 1.0, 1e-5); 86 BOOST_CHECK_CLOSE(triplefront->bead2()->getMass(), 2.0, 1e-5); 87 BOOST_CHECK_CLOSE(triplefront->bead3()->getMass(), 3.0, 1e-5); 94 BOOST_CHECK_CLOSE(tripleback->bead1()->getMass(), 1.0, 1e-5); 95 BOOST_CHECK_CLOSE(tripleback->bead2()->getMass(), 2.0, 1e-5); 96 BOOST_CHECK_CLOSE(tripleback->bead3()->getMass(), 3.0, 1e-5);
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H A D | test_basebead.cc | 50 BOOST_CHECK_CLOSE(basebead.getMass(), 0.0, 1e-5); in BOOST_AUTO_TEST_CASE() 61 BOOST_CHECK_CLOSE(basebead.getMass(), 1.0, 1e-5); in BOOST_AUTO_TEST_CASE()
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/dports/science/votca/votca-2021.2-18560-gfbe18d971/csg/csg-da5c1dc/src/tests/ |
H A D | test_triplelist.cc | 85 BOOST_CHECK_CLOSE(triplefront->bead1()->getMass(), 1.0, 1e-5); in BOOST_AUTO_TEST_CASE() 86 BOOST_CHECK_CLOSE(triplefront->bead2()->getMass(), 2.0, 1e-5); in BOOST_AUTO_TEST_CASE() 87 BOOST_CHECK_CLOSE(triplefront->bead3()->getMass(), 3.0, 1e-5); in BOOST_AUTO_TEST_CASE() 94 BOOST_CHECK_CLOSE(tripleback->bead1()->getMass(), 1.0, 1e-5); in BOOST_AUTO_TEST_CASE() 95 BOOST_CHECK_CLOSE(tripleback->bead2()->getMass(), 2.0, 1e-5); in BOOST_AUTO_TEST_CASE() 96 BOOST_CHECK_CLOSE(tripleback->bead3()->getMass(), 3.0, 1e-5); in BOOST_AUTO_TEST_CASE()
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H A D | test_basebead.cc | 50 BOOST_CHECK_CLOSE(basebead.getMass(), 0.0, 1e-5); in BOOST_AUTO_TEST_CASE() 61 BOOST_CHECK_CLOSE(basebead.getMass(), 1.0, 1e-5); in BOOST_AUTO_TEST_CASE()
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/dports/misc/dartsim/dart-6.11.1/dart/dynamics/ |
H A D | PointMass.cpp | 215 double PointMass::getMass() const in getMass() function in dart::dynamics::PointMass 773 mF.noalias() = getMass() * getBodyAcceleration(); in updateTransmittedForceID() 775 getMass() * getBodyVelocity()) in updateTransmittedForceID() 779 mF -= getMass() in updateTransmittedForceID() 793 mPsi = 1.0 / getMass(); in updateArtInertiaFD() 805 mPi = getMass() - getMass() * getMass() * mPsi; in updateArtInertiaFD() 806 mImplicitPi = getMass() - getMass() * getMass() * mImplicitPsi; in updateArtInertiaFD() 828 getMass() * getBodyVelocity()) in updateBiasForceFD() 833 mB -= getMass() in updateBiasForceFD() 888 mF.noalias() += getMass() * getBodyAcceleration(); in updateTransmittedForce() [all …]
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/dports/science/plumed/plumed2-2.7.2/src/colvar/ |
H A D | Gyration.cpp | 172 totmass+=getMass(i); in calculate() 173 com+=getMass(i)*getPosition(i); in calculate() 191 rgyr += getMass(i)*diff.modulo2(); in calculate() 192 derivatives[i] = diff*getMass(i); in calculate() 223 gyr_tens[0][0]+=getMass(i)*diff[0]*diff[0]; in calculate() 224 gyr_tens[1][1]+=getMass(i)*diff[1]*diff[1]; in calculate() 225 gyr_tens[2][2]+=getMass(i)*diff[2]*diff[2]; in calculate() 226 gyr_tens[0][1]+=getMass(i)*diff[0]*diff[1]; in calculate() 227 gyr_tens[0][2]+=getMass(i)*diff[0]*diff[2]; in calculate() 228 gyr_tens[1][2]+=getMass(i)*diff[1]*diff[2]; in calculate() [all …]
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/dports/science/opensim-core/opensim-core-4.1/OpenSim/Simulation/Test/ |
H A D | testPrescribedForce.cpp | 156 ball.setMass(ballMass.getMass()); in testPrescribedForce() 219 accel.push_back(gravity_vec+Vec3(1.0/ballMass.getMass(), 0, 0)); in testForceAtOrigin() 222 accel.push_back(gravity_vec+Vec3(0.5/ballMass.getMass(), 0.5/ballMass.getMass(), 0)); in testForceAtOrigin() 225 accel.push_back(gravity_vec+Vec3(0, 1/ballMass.getMass(), 0)); in testForceAtOrigin() 245 accel.push_back(gravity_vec+Vec3(1.0/ballMass.getMass(), 0, 0)); in testForceAtPoint()
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/dports/science/cdk/cdk-cdk-2.3/descriptor/qsar/src/main/java/org/openscience/cdk/tools/ |
H A D | AtomicProperties.java | 97 public double getMass(String symbol) { in getMass() method in AtomicProperties 102 return this.getMass(symbol) / this.getMass("C"); in getNormalizedMass()
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/dports/science/opensim-core/opensim-core-4.1/OpenSim/Simulation/SimbodyEngine/Test/ |
H A D | testJoints.cpp | 555 OpenSim::Body osim_shank("shank", tibiaMass.getMass(), in testCustomVsUniversalPin() 681 OpenSim::Body osim_thigh("thigh", femurMass.getMass(), in testCustomJointVsFunctionBased() 698 OpenSim::Body osim_shank("shank", tibiaMass.getMass(), in testCustomJointVsFunctionBased() 940 OpenSim::Body osim_foot("foot", footMass.getMass(), in testWeldJoint() 949 OpenSim::Body osim_toes ("toes", toesMass.getMass(), in testWeldJoint() 1864 OpenSim::Body thigh2("thigh2", femurMass.getMass(), in testCustomVsCompoundJoint() 1877 OpenSim::Body shank2("shank2", tibiaMass.getMass(), in testCustomVsCompoundJoint() 2068 auto thigh = new Body("thigh", femurMass.getMass(), in testAutomaticJointReversal() 2276 OpenSim::Body thigh("thigh", femurMass.getMass(), in testAutomaticLoopJointBreaker() 2299 Body shank("shank", tibiaMass.getMass(), in testAutomaticLoopJointBreaker() [all …]
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/dports/science/votca/votca-2021.2-18560-gfbe18d971/csg/src/csgapps/radii/ |
H A D | radii.cc | 109 M += mol.getBead(i)->getMass(); in EvalConfiguration() 110 cm += mol.getBead(i)->getPos() * mol.getBead(i)->getMass(); in EvalConfiguration() 117 r_gyr_m_sq += mol.getBead(i)->getMass() * r_ij.squaredNorm(); in EvalConfiguration()
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/dports/science/votca/votca-2021.2-18560-gfbe18d971/csg/csg-da5c1dc/src/csgapps/radii/ |
H A D | radii.cc | 109 M += mol.getBead(i)->getMass(); in EvalConfiguration() 110 cm += mol.getBead(i)->getPos() * mol.getBead(i)->getMass(); in EvalConfiguration() 117 r_gyr_m_sq += mol.getBead(i)->getMass() * r_ij.squaredNorm(); in EvalConfiguration()
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/dports/science/plumed/plumed2-2.7.2/src/vatom/ |
H A D | Center.cpp | 208 if(std::isnan(getMass(i))) { in calculate() 219 for(unsigned i=0; i<getNumberOfAtoms(); i++) mass+=getMass(i); in calculate() 239 if(weight_mass) w=getMass(i)/mass; in calculate() 293 if(weight_mass) w=getMass(i)/mass; in calculate()
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/dports/science/gabedit/GabeditSrc251_300720/src/Symmetry/ |
H A D | SAtom.c | 29 static gdouble getMass(SAtom* atom); 49 e.getMass = getMass; in newSAtom() 89 static gdouble getMass(SAtom* atom) in getMass() function
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/dports/games/chapping/chapping-0.43-source/game/ |
H A D | ball.cpp | 115 float k=mass*vel.module()-c.b->getMass()*c.b->getVel().module(); in getCollision() 123 float k=(cos_alpha)*c.a->getMass()/(c.b->getMass()); in getCollision()
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H A D | cap.cpp | 118 float k=mass*vel.module()-c.b->getMass()*c.b->getVel().module(); in getCollision() 126 float k=(cos_alpha)*c.a->getMass()/(c.b->getMass()); in getCollision()
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/dports/science/plumed/plumed2-2.7.2/src/tools/ |
H A D | Units.h | 100 const double & getMass()const; 134 const double & Units::getMass()const { in getMass() function
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