📄 ipatomicdescriptor.java
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else if (SE_c > 7.571876) { result = 09.6; /* 4.0/1.0 */}
}
}
if (SE_x > 13.191725)
{
if (PCH_c <= 0.010584) { result = 09.5; /* 3.0/1.0 */}
else if (PCH_c > 0.010584) { result = 09.4; /* 2.0/1.0 */}
}
}
}
if (PCH_x > -0.041368)
{
if (PCH_c <= 0.029565)
{
if (SB <= 0.028396)
{
if (PCH_c <= 0.02228) { result = 08.6; /* 3.0/1.0 */}
else if (PCH_c > 0.02228) { result = 07.4; /* 2.0/1.0 */}
}
if (SB > 0.028396)
{
if (SE_x <= 9.633713)
{
if (SE_c <= 8.750164) { result = 08.4; /* 2.0/1.0 */}
else if (SE_c > 8.750164) { result = 09.4; /* 3.0/1.0 */}
}
if (SE_x > 9.633713)
{
if (PCH_c <= 0)
{
if (SE_c <= 7.010887) { result = 09.1; /* 2.0/1.0 */}
else if (SE_c > 7.010887) { result = 08.6; /* 3.0/2.0 */}
}
if (PCH_c > 0)
{
if (SE_c <= 8.852704)
{
if (SB <= 0.473847)
{
if (PCH_c <= 0.000059) { result = 08.5; /* 2.0 */}
else if (PCH_c > 0.000059)
{
if (SE_c <= 8.779599) { result = 08.6; /* 4.0/1.0 */}
else if (SE_c > 8.779599) { result = 08.5; /* 2.0/1.0 */}
}
}
if (SB > 0.473847) { result = 08.2; /* 2.0/1.0 */}
}
if (SE_c > 8.852704) { result = 08.2; /* 3.0/2.0 */}
}
}
}
}
if (PCH_c > 0.029565)
{
if (SE_x <= 12.990697)
{
if (PCH_c <= 0.039387)
{
if (RES_c <= 1.086882)
{
if (SE_x <= 9.519079) { result = 10.0; /* 2.0 */}
else if (SE_x > 9.519079)
{
if (SE_c <= 8.798893) { result = 09.8; /* 3.0/1.0 */}
else if (SE_c > 8.798893) { result = 09.2; /* 3.0/2.0 */}
}
}
if (RES_c > 1.086882) { result = 08.9; /* 3.0/1.0 */}
}
if (PCH_c > 0.039387)
{
if (SE_c <= 10.049963) { result = 09.3; /* 13.0/7.0 */}
else if (SE_c > 10.049963)
{
if (PCH_c <= 0.039719) { result = 09.1; /* 25.0/13.0 */}
else if (PCH_c > 0.039719)
{
if (SE_c <= 10.079873) { result = 09.3; /* 2.0/1.0 */}
else if (SE_c > 10.079873) { result = 08.9; /* 2.0/1.0 */}
}
}
}
}
if (SE_x > 12.990697)
{
if (PCH_c <= 0.039882)
{
if (RES_c <= 0.913891)
{
if (SE_x <= 12.995039)
{
if (SE_c <= 10.112309) { result = 09.0; /* 8.0/4.0 */}
else if (SE_c > 10.112309) { result = 08.8; /* 3.0/1.0 */}
}
if (SE_x > 12.995039)
{
if (SE_c <= 10.117785) { result = 08.7; /* 2.0/1.0 */}
else if (SE_c > 10.117785) { result = 09.0; /* 2.0/1.0 */}
}
}
if (RES_c > 0.913891) { result = 08.9; /* 3.0/1.0 */}
}
if (PCH_c > 0.039882) { result = 08.8; /* 7.0/4.0 */}
}
}
}
}
if (PCH_c > 0.045111)
{
if (SE_c <= 7.915887)
{
if (RES_c <= 0.699389)
{
if (PCH_c <= 1.979715) { result = 11.1; /* 4.0/2.0 */}
else if (PCH_c > 1.979715) { result = 08.9; /* 3.0/2.0 */}
}
if (RES_c > 0.699389) { result = 08.5; /* 2.0 */}
}
if (SE_c > 7.915887)
{
if (SB <= 0.325594)
{
if (PCH_c <= 0.582583)
{
if (PCH_c <= 0.576351) { result = 08.3; /* 3.0/1.0 */}
else if (PCH_c > 0.576351) { result = 07.5; /* 2.0/1.0 */}
}
if (PCH_c > 0.582583)
{
if (PCH_c <= 1.296286) { result = 08.4; /* 2.0/1.0 */}
else if (PCH_c > 1.296286) { result = 09.4; /* 3.0/2.0 */}
}
}
if (SB > 0.325594)
{
if (SE_x <= 12.940799)
{
if (SB <= 0.421092) { result = 09.9; /* 2.0 */}
else if (SB > 0.421092)
{
if (PCH_c <= 0.045325) { result = 09.7; /* 5.0/3.0 */}
else if (PCH_c > 0.045325) { result = 09.6; /* 4.0/2.0 */}
}
}
if (SE_x > 12.940799) { result = 09.5; /* 6.0/3.0 */}
}
}
}
return result;
}
/**
* tree desicion for the Heteroatom
*
* @param resultsH Array which contains the results of each descriptor
* @return the result
*/
private double getTreeHeteroAtom(double[] resultsH) {
double result = 0.0;
double SE = resultsH[0];
double SCH = resultsH[1];
double EE = resultsH[2];
double PE = resultsH[3];
if (SE <= 8.80606)
{
if (EE <= 6.489)
{
if (SCH <= -0.315373)
{
if (EE <= 5.422063)
{
if (EE <= 4.608813)
{
if (SCH <= -0.330239) { result = 06.2; /* 3.0/2.0 */}
else if (SCH > -0.330239)
{
if (SE <= 8.120134) { result = 08.5; /* 2.0/1.0 */}
else if (SE > 8.120134) { result = 09.0; /* 2.0/1.0 */}
}
}
if (EE > 4.608813)
{
if (SCH <= -0.32534)
{
if (EE <= 5.00775) { result = 08.6; /* 7.0/3.0 */}
else if (EE > 5.00775) { result = 08.5; /* 4.0/1.0 */}
}
if (SCH > -0.32534) { result = 08.1; /* 3.0/2.0 */}
}
}
if (EE > 5.422063)
{
if (SCH <= -0.321973)
{
if (SE <= 8.1475) { result = 08.4; /* 3.0/1.0 */}
else if (SE > 8.1475) { result = 08.5; /* 2.0/1.0 */}
}
if (SCH > -0.321973)
{
if (EE <= 6.102) { result = 07.9; /* 2.0/1.0 */}
else if (EE > 6.102) { result = 08.0; /* 3.0/1.0 */}
}
}
}
if (SCH > -0.315373)
{
if (PE <= 4.873452) { result = 09.2; /* 15.0/10.0 */}
else if (PE > 4.873452)
{
if (SCH <= -0.139567)
{
if (EE <= 1.438) { result = 09.8; /* 3.0/1.0 */}
else if (EE > 1.438)
{
if (SE <= 8.60319) { result = 09.1; /* 6.0/2.0 */}
else if (SE > 8.60319) { result = 08.6; /* 2.0/1.0 */}
}
}
if (SCH > -0.139567)
{
if (SE <= 7.833611) { result = 09.3; /* 3.0/2.0 */}
else if (SE > 7.833611) { result = 08.5; /* 3.0/1.0 */}
}
}
}
}
if (EE > 6.489)
{
if (SE <= 8.42798)
{
if (EE <= 8.234438)
{
if (EE <= 7.813)
{
if (SE <= 8.274057)
{
if (EE <= 6.8275)
{
if (SCH <= -0.315888) { result = 07.8; /* 2.0/1.0 */}
else if (SCH > -0.315888) { result = 08.0; /* 3.0 */}
}
if (EE > 6.8275)
{
if (SCH <= -0.315373) { result = 07.6; /* 2.0/1.0 */}
else if (SCH > -0.315373) { result = 08.3; /* 3.0/1.0 */}
}
}
if (SE > 8.274057)
{
if (SCH <= -0.310518)
{
if (SCH <= -0.310845) { result = 07.9; /* 5.0/3.0 */}
else if (SCH > -0.310845) { result = 08.5; /* 2.0/1.0 */}
}
if (SCH > -0.310518)
{
if (SCH <= -0.305857)
{
if (EE <= 7.07075) { result = 07.6; /* 2.0/1.0 */}
else if (EE > 7.07075)
{
if (SE <= 8.357012) { result = 08.3; /* 6.0/3.0 */}
else if (SE > 8.357012) { result = 07.8; /* 3.0/2.0 */}
}
}
if (SCH > -0.305857)
{
if (SE <= 8.360428) { result = 07.7; /* 3.0 */}
else if (SE > 8.360428) { result = 07.9; /* 2.0/1.0 */}
}
}
}
}
if (EE > 7.813)
{
if (EE <= 8.079)
{
if (EE <= 7.994375)
{
if (SE <= 8.376288) { result = 08.0; /* 4.0/1.0 */}
else if (SE > 8.376288) { result = 07.5; /* 2.0 */}
}
if (EE > 7.994375) { result = 07.6; /* 3.0 */}
}
if (EE > 8.079)
{
if (SCH <= -0.303186) { result = 07.7; /* 2.0/1.0 */}
else if (SCH > -0.303186) { result = 08.0; /* 4.0 */}
}
}
}
if (EE > 8.234438)
{
if (EE <= 8.70775)
{
if (EE <= 8.326844) { result = 07.9; /* 5.0/1.0 */}
else if (EE > 8.326844)
{
if (SCH <= -0.301277) { result = 08.1; /* 5.0/2.0 */}
else if (SCH > -0.301277) { result = 07.7; /* 2.0/1.0 */}
}
}
if (EE > 8.70775)
{
if (SCH <= -0.299978)
{
if (SE <= 8.391832) { result = 07.0; /* 4.0/2.0 */}
else if (SE > 8.391832) { result = 07.8; /* 2.0 */}
}
if (SCH > -0.299978)
{
if (SE <= 8.289405) { result = 07.7; /* 2.0 */}
else if (SE > 8.289405) { result = 07.9; /* 3.0 */}
}
}
}
}
if (SE > 8.42798)
{
if (EE <= 8.732)
{
if (EE <= 7.673875)
{
if (EE <= 6.99075) { result = 08.6; /* 5.0/2.0 */}
else if (EE > 6.99075)
{
if (SE <= 8.672826) { result = 08.5; /* 4.0/2.0 */}
else if (SE > 8.672826)
{
if (SE <= 8.724731) { result = 08.6; /* 3.0/1.0 */}
else if (SE > 8.724731) { result = 08.4; /* 2.0/1.0 */}
}
}
}
if (EE > 7.673875)
{
if (SCH <= -0.1603)
{
if (SCH <= -0.16701) { result = 08.7; /* 4.0/2.0 */}
else if (SCH > -0.16701) { result = 08.4; /* 9.0/2.0 */}
}
if (SCH > -0.1603)
{
if (EE <= 8.4175)
{
if (SE <= 8.75386) { result = 08.3; /* 2.0 */}
else if (SE > 8.75386) { result = 08.1; /* 2.0/1.0 */}
}
if (EE > 8.4175) { result = 07.9; /* 3.0/2.0 */}
}
}
}
if (EE > 8.732)
{
if (SE <= 8.707362)
{
if (SE <= 8.460227) { result = 07.7; /* 3.0/1.0 */}
else if (SE > 8.460227) { result = 08.3; /* 4.0/2.0 */}
}
if (SE > 8.707362)
{
if (EE <= 9.536)
{
if (EE <= 9.24575) { result = 08.2; /* 2.0/1.0 */}
else if (EE > 9.24575) { result = 08.1; /* 3.0/1.0 */}
}
if (EE > 9.536) { result = 07.8; /* 6.0/3.0 */}
}
}
}
}
}
if (SE > 8.80606)
{
if (PE <= 4.260194)
{
if (EE <= 4.862859)
{
if (EE <= 4.0805)
{
if (SCH <= -0.395706)
{
if (SCH <= -0.398947) { result = 12.6; /* 3.0/1.0 */}
else if (SCH > -0.398947)
{
if (SCH <= -0.395985) { result = 09.1; /* 2.0/1.0 */}
else if (SCH > -0.395985)
{
if (EE <= 3.795813) { result = 09.2; /* 4.0/2.0 */}
else if (EE > 3.795813) { result = 10.4; /* 3.0/1.0 */}
}
}
}
if (SCH > -0.395706)
{
if (EE <= 3.566) { result = 07.5; /* 3.0/2.0 */}
else if (EE > 3.566)
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