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38 package ffx.openmm.amoeba;
39
40 import ffx.openmm.Context;
41 import ffx.openmm.Force;
42
43 import static edu.uiowa.jopenmm.OpenMMAmoebaLibrary.OpenMM_AmoebaWcaDispersionForce_addParticle;
44 import static edu.uiowa.jopenmm.OpenMMAmoebaLibrary.OpenMM_AmoebaWcaDispersionForce_create;
45 import static edu.uiowa.jopenmm.OpenMMAmoebaLibrary.OpenMM_AmoebaWcaDispersionForce_destroy;
46 import static edu.uiowa.jopenmm.OpenMMAmoebaLibrary.OpenMM_AmoebaWcaDispersionForce_setAwater;
47 import static edu.uiowa.jopenmm.OpenMMAmoebaLibrary.OpenMM_AmoebaWcaDispersionForce_setDispoff;
48 import static edu.uiowa.jopenmm.OpenMMAmoebaLibrary.OpenMM_AmoebaWcaDispersionForce_setEpsh;
49 import static edu.uiowa.jopenmm.OpenMMAmoebaLibrary.OpenMM_AmoebaWcaDispersionForce_setEpso;
50 import static edu.uiowa.jopenmm.OpenMMAmoebaLibrary.OpenMM_AmoebaWcaDispersionForce_setParticleParameters;
51 import static edu.uiowa.jopenmm.OpenMMAmoebaLibrary.OpenMM_AmoebaWcaDispersionForce_setRminh;
52 import static edu.uiowa.jopenmm.OpenMMAmoebaLibrary.OpenMM_AmoebaWcaDispersionForce_setRmino;
53 import static edu.uiowa.jopenmm.OpenMMAmoebaLibrary.OpenMM_AmoebaWcaDispersionForce_setShctd;
54 import static edu.uiowa.jopenmm.OpenMMAmoebaLibrary.OpenMM_AmoebaWcaDispersionForce_setSlevy;
55 import static edu.uiowa.jopenmm.OpenMMAmoebaLibrary.OpenMM_AmoebaWcaDispersionForce_updateParametersInContext;
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60 public class WcaDispersionForce extends Force {
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65 public WcaDispersionForce() {
66 pointer = OpenMM_AmoebaWcaDispersionForce_create();
67 }
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75 public void addParticle(double radius, double epsilon) {
76 OpenMM_AmoebaWcaDispersionForce_addParticle(pointer, radius, epsilon);
77 }
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86 public void setParticleParameters(int index, double radius, double epsilon) {
87 OpenMM_AmoebaWcaDispersionForce_setParticleParameters(pointer, index, radius, epsilon);
88 }
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96 public void setEpso(double epso) {
97 OpenMM_AmoebaWcaDispersionForce_setEpso(pointer, epso);
98 }
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105 public void setEpsh(double epsh) {
106 OpenMM_AmoebaWcaDispersionForce_setEpsh(pointer, epsh);
107 }
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114 public void setRmino(double rmino) {
115 OpenMM_AmoebaWcaDispersionForce_setRmino(pointer, rmino);
116 }
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123 public void setRminh(double rminh) {
124 OpenMM_AmoebaWcaDispersionForce_setRminh(pointer, rminh);
125 }
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132 public void setDispoff(double dispoff) {
133 OpenMM_AmoebaWcaDispersionForce_setDispoff(pointer, dispoff);
134 }
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141 public void setAwater(double awater) {
142 OpenMM_AmoebaWcaDispersionForce_setAwater(pointer, awater);
143 }
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150 public void setSlevy(double slevy) {
151 OpenMM_AmoebaWcaDispersionForce_setSlevy(pointer, slevy);
152 }
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159 public void setShctd(double shctd) {
160 OpenMM_AmoebaWcaDispersionForce_setShctd(pointer, shctd);
161 }
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168 public void updateParametersInContext(Context context) {
169 if (context.hasContextPointer()) {
170 OpenMM_AmoebaWcaDispersionForce_updateParametersInContext(pointer, context.getPointer());
171 }
172 }
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177 public void destroy() {
178 if (pointer != null) {
179 OpenMM_AmoebaWcaDispersionForce_destroy(pointer);
180 pointer = null;
181 }
182 }
183 }