Examples of IonicRadii

Examples of flanagan.physprop.IonicRadii

225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
    // Partition coefficient to be calculated from Born charging equation
    // default radii and charge taken from class IonicRadii
    // if radii not in Ionic Radii, Donnan potential calculated with interface charge neglected
    // Concentrations - Molar
    public void setIon(String ion, double concnA, double concnB, double assocK){
        IonicRadii ir = new IonicRadii();
        this.arrayl.add(ion);
        this.arrayl.add(new Double(concnA));
        this.arrayl.add(new Double(concnB));
        if(concnA>0.0D || concnB>0.0)this.nonZeroConcns++;
        this.arrayl.add(new Double(assocK));
        if(assocK!=0.0D)this.nonZeroAssocK++;
        double rad = 0.0D;
        if(this.radiusType){
            rad = ir.hydratedRadius(ion);
        }
        else{
            rad = ir.radius(ion);
        }

        if(rad==0.0D){
            String mess1 = ion + " radius is not in the IonicRadii list\n";
            String mess2 = "Please enter radius in metres\n";
            rad = Db.readDouble(mess1+mess2);
        }
        this.arrayl.add(new Double(rad));
        int charg = 0;
        charg = ir.charge(ion);
        if(charg==0){
            String mess1 = ion + " charge is not in the IonicRadii list\n";
            String mess2 = "Please enter charge, e.g +2";
            charg = Db.readInt(mess1+mess2);
        }
View Full Code Here

Examples of flanagan.physprop.IonicRadii

263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
   // Method to add an ionic species to the  Donnan Equilibrium
    // Partition coefficient to be supplied by user
    // default radii and charge taken from class IonicRadii
    // Concentrations - Molar
    public void setIon(double partCoeff, String ion, double concnA, double concnB, double assocK){
        IonicRadii ir = new IonicRadii();
        this.arrayl.add(ion);
        this.arrayl.add(new Double(concnA));
        this.arrayl.add(new Double(concnB));
        if(concnA>0.0D || concnB>0.0)this.nonZeroConcns++;
        this.arrayl.add(new Double(assocK));
        if(assocK!=0.0D)this.nonZeroAssocK++;
        double rad = 0.0D;
        if(this.includeIc){
            if(this.radiusType){
                rad = ir.hydratedRadius(ion);
            }
            else{
                rad = ir.radius(ion);
            }

            if(rad==0.0D){
                String mess1 = ion + " radius is not in the IonicRadii list\n";
                String mess2 = "Please enter radius in metres\n";
                String mess3 = "Enter 0.0 if you wish interfacial charge to be neglected";
                rad = Db.readDouble(mess1+mess2+mess3);
                if(rad==0.0D)this.includeIc = false;
            }
        }
        this.arrayl.add(new Double(rad));
        int charg = 0;
        charg = ir.charge(ion);
        if(charg==0){
            String mess1 = ion + " charge is not in the IonicRadii list\n";
            String mess2 = "Please enter charge, e.g +2";
            charg = Db.readInt(mess1+mess2);
        }
View Full Code Here

Examples of flanagan.physprop.IonicRadii

306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
    // Partition coefficients to be calculated from Born charging equation
    // default radii and charge taken from class IonicRadii
    // association constant = 0.0D
    // Concentrations - Molar
    public void setIon(String ion, double concnA, double concnB){
        IonicRadii ir = new IonicRadii();
        this.arrayl.add(ion);
        this.arrayl.add(new Double(concnA));
        this.arrayl.add(new Double(concnB));
        if(concnA>0.0D || concnB>0.0)this.nonZeroConcns++;
        this.arrayl.add(new Double(0.0D));
        double rad = 0.0D;
        if(this.radiusType){
            rad = ir.hydratedRadius(ion);
        }
        else{
            rad = ir.radius(ion);
        }
        if(rad==0.0D){
            String mess1 = ion + " radius is not in the IonicRadii list\n";
            String mess2 = "Please enter radius in metres\n";
            rad = Db.readDouble(mess1+mess2);
            if(rad==0.0D)this.includeIc = false;
        }
        this.arrayl.add(new Double(rad));
        int charg = 0;
        charg = ir.charge(ion);
        if(charg==0){
            String mess1 = ion + " charge is not in the IonicRadii list\n";
            String mess2 = "Please enter charge, e.g +2";
            charg = Db.readInt(mess1+mess2);
        }
View Full Code Here

Examples of flanagan.physprop.IonicRadii

344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
    // Partition coefficients to be supplied by the user
    // default radii and charge taken from class IonicRadii
    // association constant = 0.0D
    // Concentrations - Molar
    public void setIon(double partCoeff, String ion, double concnA, double concnB){
        IonicRadii ir = new IonicRadii();
        this.arrayl.add(ion);
        this.arrayl.add(new Double(concnA));
        this.arrayl.add(new Double(concnB));
        if(concnA>0.0D || concnB>0.0)this.nonZeroConcns++;
        this.arrayl.add(new Double(0.0D));
        double rad = 0.0D;
        if(this.includeIc){
            if(this.radiusType){
                rad = ir.hydratedRadius(ion);
            }
            else{
                rad = ir.radius(ion);
            }

            if(rad==0.0D){
                String mess1 = ion + " radius is not in the IonicRadii list\n";
                String mess2 = "Please enter radius in metres\n";
                String mess3 = "Enter 0.0 if you wish interfacial charge to be neglected";
                rad = Db.readDouble(mess1+mess2+mess3);
                if(rad==0.0D)this.includeIc = false;
            }
        }
        this.arrayl.add(new Double(rad));
        int charg = 0;
        charg = ir.charge(ion);
        if(charg==0){
            String mess1 = ion + " charge is not in the IonicRadii list\n";
            String mess2 = "Please enter charge, e.g +2";
            charg = Db.readInt(mess1+mess2);
        }
View Full Code Here

Examples of flanagan.physprop.IonicRadii

195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
    // Method to add an ionic species
    // default radii and charge taken from class IonicRadii
    // if radii not in Ionic Radii, Donnan potential calculated with interface charge neglected
    // Concentrations - Molar
    public void setIon(String ion, double concn, double assocK){
        IonicRadii ir = new IonicRadii();
        this.vec.add(ion);
        this.vec.add(new Double(concn));
        double rad = 0.0D;
        if(this.radiusType){
            rad = ir.hydratedRadius(ion);
        }
        else{
            rad = ir.radius(ion);
        }
        if(rad==0.0D){
            String mess1 = ion + " radius is not in the IonicRadii list\n";
            String mess2 = "Please enter radius in metres\n";
            rad = Db.readDouble(mess1+mess2);
        }
        this.vec.add(new Double(rad));
        int charg = 0;
        charg = ir.charge(ion);
        if(charg==0){
            String mess1 = ion + " charge is not in the IonicRadii list\n";
            String mess2 = "Please enter charge as, e.g +2";
            charg = Db.readInt(mess1+mess2);
        }
View Full Code Here

Examples of flanagan.physprop.IonicRadii

230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
    // Method to add an ionic species
    // default radii and charge taken from class IonicRadii
    // association constant = 0.0D
    // Concentrations - Molar
    public void setIon(String ion, double concn){
        IonicRadii ir = new IonicRadii();
        this.vec.add(ion);
        this.vec.add(new Double(concn));
        double rad = 0.0D;
        if(this.radiusType){
            rad = ir.hydratedRadius(ion);
        }
        else{
            rad = ir.radius(ion);
        }
        if(rad==0.0D){
            String mess1 = ion + " radius is not in the IonicRadii list\n";
            String mess2 = "Please enter radius in metres\n";
            rad = Db.readDouble(mess1+mess2);
        }
        this.vec.add(new Double(rad));
        int charg = 0;
        charg = ir.charge(ion);
        if(charg==0){
            String mess1 = ion + " charge is not in the IonicRadii list\n";
            String mess2 = "Please enter charge as, e.g +2";
            charg = Db.readInt(mess1+mess2);
        }
View Full Code Here

Examples of flanagan.physprop.IonicRadii

195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
    // Method to add an ionic species
    // default radii and charge taken from class IonicRadii
    // if radii not in Ionic Radii, Donnan potential calculated with interface charge neglected
    // Concentrations - Molar
    public void setIon(String ion, double concn, double assocK){
        IonicRadii ir = new IonicRadii();
        this.vec.add(ion);
        this.vec.add(new Double(concn));
        double rad = 0.0D;
        if(this.radiusType){
            rad = ir.hydratedRadius(ion);
        }
        else{
            rad = ir.radius(ion);
        }
        if(rad==0.0D){
            String mess1 = ion + " radius is not in the IonicRadii list\n";
            String mess2 = "Please enter radius in metres\n";
            rad = Db.readDouble(mess1+mess2);
        }
        this.vec.add(new Double(rad));
        int charg = 0;
        charg = ir.charge(ion);
        if(charg==0){
            String mess1 = ion + " charge is not in the IonicRadii list\n";
            String mess2 = "Please enter charge as, e.g +2";
            charg = Db.readInt(mess1+mess2);
        }
View Full Code Here

Examples of flanagan.physprop.IonicRadii

230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
    // Method to add an ionic species
    // default radii and charge taken from class IonicRadii
    // association constant = 0.0D
    // Concentrations - Molar
    public void setIon(String ion, double concn){
        IonicRadii ir = new IonicRadii();
        this.vec.add(ion);
        this.vec.add(new Double(concn));
        double rad = 0.0D;
        if(this.radiusType){
            rad = ir.hydratedRadius(ion);
        }
        else{
            rad = ir.radius(ion);
        }
        if(rad==0.0D){
            String mess1 = ion + " radius is not in the IonicRadii list\n";
            String mess2 = "Please enter radius in metres\n";
            rad = Db.readDouble(mess1+mess2);
        }
        this.vec.add(new Double(rad));
        int charg = 0;
        charg = ir.charge(ion);
        if(charg==0){
            String mess1 = ion + " charge is not in the IonicRadii list\n";
            String mess2 = "Please enter charge as, e.g +2";
            charg = Db.readInt(mess1+mess2);
        }
View Full Code Here

Examples of flanagan.physprop.IonicRadii

225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
    // Partition coefficient to be calculated from Born charging equation
    // default radii and charge taken from class IonicRadii
    // if radii not in Ionic Radii, Donnan potential calculated with interface charge neglected
    // Concentrations - Molar
    public void setIon(String ion, double concnA, double concnB, double assocK){
        IonicRadii ir = new IonicRadii();
        this.arrayl.add(ion);
        this.arrayl.add(new Double(concnA));
        this.arrayl.add(new Double(concnB));
        if(concnA>0.0D || concnB>0.0)this.nonZeroConcns++;
        this.arrayl.add(new Double(assocK));
        if(assocK!=0.0D)this.nonZeroAssocK++;
        double rad = 0.0D;
        if(this.radiusType){
            rad = ir.hydratedRadius(ion);
        }
        else{
            rad = ir.radius(ion);
        }

        if(rad==0.0D){
            String mess1 = ion + " radius is not in the IonicRadii list\n";
            String mess2 = "Please enter radius in metres\n";
            rad = Db.readDouble(mess1+mess2);
        }
        this.arrayl.add(new Double(rad));
        int charg = 0;
        charg = ir.charge(ion);
        if(charg==0){
            String mess1 = ion + " charge is not in the IonicRadii list\n";
            String mess2 = "Please enter charge, e.g +2";
            charg = Db.readInt(mess1+mess2);
        }
View Full Code Here

Examples of flanagan.physprop.IonicRadii

263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
   // Method to add an ionic species to the  Donnan Equilibrium
    // Partition coefficient to be supplied by user
    // default radii and charge taken from class IonicRadii
    // Concentrations - Molar
    public void setIon(double partCoeff, String ion, double concnA, double concnB, double assocK){
        IonicRadii ir = new IonicRadii();
        this.arrayl.add(ion);
        this.arrayl.add(new Double(concnA));
        this.arrayl.add(new Double(concnB));
        if(concnA>0.0D || concnB>0.0)this.nonZeroConcns++;
        this.arrayl.add(new Double(assocK));
        if(assocK!=0.0D)this.nonZeroAssocK++;
        double rad = 0.0D;
        if(this.includeIc){
            if(this.radiusType){
                rad = ir.hydratedRadius(ion);
            }
            else{
                rad = ir.radius(ion);
            }

            if(rad==0.0D){
                String mess1 = ion + " radius is not in the IonicRadii list\n";
                String mess2 = "Please enter radius in metres\n";
                String mess3 = "Enter 0.0 if you wish interfacial charge to be neglected";
                rad = Db.readDouble(mess1+mess2+mess3);
                if(rad==0.0D)this.includeIc = false;
            }
        }
        this.arrayl.add(new Double(rad));
        int charg = 0;
        charg = ir.charge(ion);
        if(charg==0){
            String mess1 = ion + " charge is not in the IonicRadii list\n";
            String mess2 = "Please enter charge, e.g +2";
            charg = Db.readInt(mess1+mess2);
        }
View Full Code Here
TOP
Copyright © 2018 www.massapi.com. All rights reserved.
All source code are property of their respective owners. Java is a trademark of Sun Microsystems, Inc and owned by ORACLE Inc. Contact coftware#gmail.com.