36 |
|
zForceConst = Kb * info->target_temp / (halfOfLargestBox * halfOfLargestBox); |
37 |
|
|
38 |
|
//creat force Subtraction policy |
39 |
< |
data = info->getProperty(ZCONSFORCEPOLICY_ID); |
39 |
> |
data = info->getPropertyByName(ZCONSFORCEPOLICY_ID); |
40 |
|
if (!data){ |
41 |
|
sprintf(painCave.errMsg, |
42 |
|
"ZConstraint Warning: User does not set force Subtraction policy, " |
76 |
|
|
77 |
|
|
78 |
|
//retrieve sample time of z-contraint |
79 |
< |
data = info->getProperty(ZCONSTIME_ID); |
79 |
> |
data = info->getPropertyByName(ZCONSTIME_ID); |
80 |
|
|
81 |
|
if (!data){ |
82 |
|
sprintf(painCave.errMsg, |
100 |
|
} |
101 |
|
|
102 |
|
//retrieve output filename of z force |
103 |
< |
data = info->getProperty(ZCONSFILENAME_ID); |
103 |
> |
data = info->getPropertyByName(ZCONSFILENAME_ID); |
104 |
|
if (!data){ |
105 |
|
sprintf(painCave.errMsg, |
106 |
|
"ZConstraint error: If you use an ZConstraint\n" |
123 |
|
} |
124 |
|
|
125 |
|
//retrieve tolerance for z-constraint molecuels |
126 |
< |
data = info->getProperty(ZCONSTOL_ID); |
126 |
> |
data = info->getPropertyByName(ZCONSTOL_ID); |
127 |
|
|
128 |
|
if (!data){ |
129 |
|
sprintf(painCave.errMsg, "ZConstraint error: can not get tolerance \n"); |
145 |
|
} |
146 |
|
|
147 |
|
//quick hack here |
148 |
< |
data = info->getProperty(ZCONSGAP_ID); |
148 |
> |
data = info->getPropertyByName(ZCONSGAP_ID); |
149 |
|
|
150 |
|
if (data){ |
151 |
|
gap = dynamic_cast<DoubleGenericData*>(data); |
164 |
|
|
165 |
|
|
166 |
|
|
167 |
< |
data = info->getProperty(ZCONSFIXTIME_ID); |
167 |
> |
data = info->getPropertyByName(ZCONSFIXTIME_ID); |
168 |
|
|
169 |
|
if (data){ |
170 |
|
fixtime = dynamic_cast<DoubleGenericData*>(data); |
187 |
|
|
188 |
|
|
189 |
|
|
190 |
< |
data = info->getProperty(ZCONSUSINGSMD_ID); |
190 |
> |
data = info->getPropertyByName(ZCONSUSINGSMD_ID); |
191 |
|
|
192 |
|
if (data){ |
193 |
|
smdFlag = dynamic_cast<IntGenericData*>(data); |
207 |
|
|
208 |
|
|
209 |
|
//retrieve index of z-constraint molecules |
210 |
< |
data = info->getProperty(ZCONSPARADATA_ID); |
210 |
> |
data = info->getPropertyByName(ZCONSPARADATA_ID); |
211 |
|
if (!data){ |
212 |
|
sprintf(painCave.errMsg, |
213 |
|
"ZConstraint error: If you use an ZConstraint\n" |